3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol

C14H21NO2 — CID 111457432

IUPAC3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccccc1CNC(CCO)C1CC1
InChIInChI=1S/C14H21NO2/c1-17-14-5-3-2-4-12(14)10-15-13(8-9-16)11-6-7-11/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyIPTZADDMJUIJPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds7

About 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol

3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 111457432) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
PubChem CID111457432
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccccc1CNC(CCO)C1CC1
InChIInChI=1S/C14H21NO2/c1-17-14-5-3-2-4-12(14)10-15-13(8-9-16)11-6-7-11/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyIPTZADDMJUIJPX-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457490
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111457458
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
2-[(1-cyclopropylbutylamino)methyl]phenol
CID 115769918
3-cyclopropyl-3-[(4-methoxy-3-methylsulfanylphenyl)methylamino]propan-1-ol
CID 111457428
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
CID 65029818
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol (CID 111457432) is 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol is COc1ccccc1CNC(CCO)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is IPTZADDMJUIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14-5-3-2-4-12(14)10-15-13(8-9-16)11-6-7-11/h2-5,11,13,15-16H,6-10H2,1H3.
What are the key properties of 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol?
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 111457432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).