(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C17H29NO3 — CID 93161968

IUPAC(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(CN(CC2CC2)C[C@@H](O)COCC(C)C)o1
InChIInChI=1S/C17H29NO3/c1-13(2)11-20-12-16(19)9-18(8-15-5-6-15)10-17-7-4-14(3)21-17/h4,7,13,15-16,19H,5-6,8-12H2,1-3H3/t16-/m1/s1
InChIKeyCJWSKCNPBKFAQY-MRXNPFEDSA-N
MW295.42 g/mol
LogP2.83
Rot. Bonds10

About (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93161968) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID93161968
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(CN(CC2CC2)C[C@@H](O)COCC(C)C)o1
InChIInChI=1S/C17H29NO3/c1-13(2)11-20-12-16(19)9-18(8-15-5-6-15)10-17-7-4-14(3)21-17/h4,7,13,15-16,19H,5-6,8-12H2,1-3H3/t16-/m1/s1
InChIKeyCJWSKCNPBKFAQY-MRXNPFEDSA-N
XLogP2.83
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93161975
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682228
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129419545
(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161955
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
(2S)-1-[cyclopropylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93220102
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93161879
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 93161968) is (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccc(CN(CC2CC2)C[C@@H](O)COCC(C)C)o1.
What is the InChIKey of (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is CJWSKCNPBKFAQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)11-20-12-16(19)9-18(8-15-5-6-15)10-17-7-4-14(3)21-17/h4,7,13,15-16,19H,5-6,8-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93161968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).