2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H20ClNO — CID 64926908

IUPAC2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c15-13-7-3-1-5-11(13)9-16-10-12-6-2-4-8-14(12)17/h1,3,5,7,12,14,16-17H,2,4,6,8-10H2
InChIKeyBORAWUOLAMAAKQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.98
Rot. Bonds4

About 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64926908) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64926908
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c15-13-7-3-1-5-11(13)9-16-10-12-6-2-4-8-14(12)17/h1,3,5,7,12,14,16-17H,2,4,6,8-10H2
InChIKeyBORAWUOLAMAAKQ-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653
2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 115656377
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
4-chloro-2-[[(2-hydroxycyclohexyl)methylamino]methyl]phenol
CID 64928657
2-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64911603
2-[[(2,3,6-trichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 79025608
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 64926908) is 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1ccccc1Cl.
What is the InChIKey of 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BORAWUOLAMAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-7-3-1-5-11(13)9-16-10-12-6-2-4-8-14(12)17/h1,3,5,7,12,14,16-17H,2,4,6,8-10H2.
What are the key properties of 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64926908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).