1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

C17H27NO3 — CID 24714107

IUPAC1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(CC(O)COC(C)C)C2CC2)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)21-12-16(19)11-18(15-6-7-15)10-14-4-8-17(20-3)9-5-14/h4-5,8-9,13,15-16,19H,6-7,10-12H2,1-3H3
InChIKeyGPQXVZPDJCEWFU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.45
Rot. Bonds9

About 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24714107) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24714107
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(CC(O)COC(C)C)C2CC2)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)21-12-16(19)11-18(15-6-7-15)10-14-4-8-17(20-3)9-5-14/h4-5,8-9,13,15-16,19H,6-7,10-12H2,1-3H3
InChIKeyGPQXVZPDJCEWFU-UHFFFAOYSA-N
XLogP2.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163972
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160531
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
(2R)-1-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93160616
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 24534341
(2R)-1-[cyclopropyl-[[1-(4-methoxyphenyl)-5-phenoxy-3-propan-2-ylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93230841
(2S)-1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93160470
(2S)-1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93160983
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763
1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713068
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 24714107) is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is COc1ccc(CN(CC(O)COC(C)C)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is GPQXVZPDJCEWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)21-12-16(19)11-18(15-6-7-15)10-14-4-8-17(20-3)9-5-14/h4-5,8-9,13,15-16,19H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24714107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).