1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

C21H27NO2 — CID 24714099

IUPAC1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CN(CC(O)COCc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H27NO2/c1-17-7-9-18(10-8-17)13-22(20-11-12-20)14-21(23)16-24-15-19-5-3-2-4-6-19/h2-10,20-21,23H,11-16H2,1H3
InChIKeyATQUHNJEYULNQH-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.54
Rot. Bonds9

About 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 24714099) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID24714099
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CN(CC(O)COCc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H27NO2/c1-17-7-9-18(10-8-17)13-22(20-11-12-20)14-21(23)16-24-15-19-5-3-2-4-6-19/h2-10,20-21,23H,11-16H2,1H3
InChIKeyATQUHNJEYULNQH-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 42837050
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 155171662
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
1-[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007631
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 24714099) is 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is Cc1ccc(CN(CC(O)COCc2ccccc2)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is ATQUHNJEYULNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-7-9-18(10-8-17)13-22(20-11-12-20)14-21(23)16-24-15-19-5-3-2-4-6-19/h2-10,20-21,23H,11-16H2,1H3.
What are the key properties of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 24714099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).