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

C21H27NO3 — CID 46007609

IUPAC1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOc1ccc(CN(CC(O)COc2ccccc2C)C2CC2)cc1
InChIInChI=1S/C21H27NO3/c1-16-5-3-4-6-21(16)25-15-19(23)14-22(18-9-10-18)13-17-7-11-20(24-2)12-8-17/h3-8,11-12,18-19,23H,9-10,13-15H2,1-2H3
InChIKeyPQFZRLUWQRRXBC-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.41
Rot. Bonds9

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

1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 46007609) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID46007609
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOc1ccc(CN(CC(O)COc2ccccc2C)C2CC2)cc1
InChIInChI=1S/C21H27NO3/c1-16-5-3-4-6-21(16)25-15-19(23)14-22(18-9-10-18)13-17-7-11-20(24-2)12-8-17/h3-8,11-12,18-19,23H,9-10,13-15H2,1-2H3
InChIKeyPQFZRLUWQRRXBC-UHFFFAOYSA-N
XLogP3.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161874
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 24714107
(2R)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163972
1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 42794852
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-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
(2S)-1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93160470
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42794853
1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 46007702

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 46007609) is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is COc1ccc(CN(CC(O)COc2ccccc2C)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is PQFZRLUWQRRXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16-5-3-4-6-21(16)25-15-19(23)14-22(18-9-10-18)13-17-7-11-20(24-2)12-8-17/h3-8,11-12,18-19,23H,9-10,13-15H2,1-2H3.
What are the key properties of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 341.45 g/mol, XLogP of 3.41, 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-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 46007609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).