[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol

C12H16ClNO — CID 86815624

IUPAC[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
SMILESCc1cc(Cl)ccc1CNC1(CO)CC1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,7-8H2,1H3
InChIKeyGPYAPRXWGKVZKJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.26
Rot. Bonds4

About [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol

[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol (PubChem CID 86815624) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
PubChem CID86815624
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
SMILESCc1cc(Cl)ccc1CNC1(CO)CC1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,7-8H2,1H3
InChIKeyGPYAPRXWGKVZKJ-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
CID 115763026
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol (CID 86815624) is [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol is Cc1cc(Cl)ccc1CNC1(CO)CC1.
What is the InChIKey of [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol?
The InChIKey is GPYAPRXWGKVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,7-8H2,1H3.
What are the key properties of [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol?
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 86815624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).