2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol

C14H20ClNO — CID 99839662

IUPAC2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCc1ccc(CNCC2(CCO)CC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-2-3-12(8-13(11)15)9-16-10-14(4-5-14)6-7-17/h2-3,8,16-17H,4-7,9-10H2,1H3
InChIKeyBBMKZAWPVHZHBC-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 99839662) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID99839662
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCc1ccc(CNCC2(CCO)CC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-2-3-12(8-13(11)15)9-16-10-14(4-5-14)6-7-17/h2-3,8,16-17H,4-7,9-10H2,1H3
InChIKeyBBMKZAWPVHZHBC-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
(3S)-3-[[(3-chloro-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 99844326
1-(3-chloro-4-methylphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 106816959
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 115455557
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol (CID 99839662) is 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol is Cc1ccc(CNCC2(CCO)CC2)cc1Cl.
What is the InChIKey of 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is BBMKZAWPVHZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-2-3-12(8-13(11)15)9-16-10-14(4-5-14)6-7-17/h2-3,8,16-17H,4-7,9-10H2,1H3.
What are the key properties of 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 253.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 99839662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).