3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol

C13H18ClNO — CID 106364946

IUPAC3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
SMILESOc1cccc(CNC2CCCC2CCl)c1
InChIInChI=1S/C13H18ClNO/c14-8-11-4-2-6-13(11)15-9-10-3-1-5-12(16)7-10/h1,3,5,7,11,13,15-16H,2,4,6,8-9H2
InChIKeyKYYWZHIRHYQIHN-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.89
Rot. Bonds4

About 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol

3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol (PubChem CID 106364946) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
PubChem CID106364946
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
SMILESOc1cccc(CNC2CCCC2CCl)c1
InChIInChI=1S/C13H18ClNO/c14-8-11-4-2-6-13(11)15-9-10-3-1-5-12(16)7-10/h1,3,5,7,11,13,15-16H,2,4,6,8-9H2
InChIKeyKYYWZHIRHYQIHN-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
3-[(cyclobutylamino)methyl]phenol
CID 62416890
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 43673906
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 43752315
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol?
The IUPAC name of 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol (CID 106364946) is 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol is Oc1cccc(CNC2CCCC2CCl)c1.
What is the InChIKey of 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol?
The InChIKey is KYYWZHIRHYQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-8-11-4-2-6-13(11)15-9-10-3-1-5-12(16)7-10/h1,3,5,7,11,13,15-16H,2,4,6,8-9H2.
What are the key properties of 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol?
3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol has a molecular weight of 239.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol is sourced from PubChem (CID 106364946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).