[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol

C15H19ClN2O — CID 106359414

IUPAC[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c16-12-4-5-13-11(8-18-15(13)6-12)7-17-14-3-1-2-10(14)9-19/h4-6,8,10,14,17-19H,1-3,7,9H2
InChIKeyJZZIWNXWCOMWHC-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.07
Rot. Bonds4

About [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol

[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol (PubChem CID 106359414) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
PubChem CID106359414
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c16-12-4-5-13-11(8-18-15(13)6-12)7-17-14-3-1-2-10(14)9-19/h4-6,8,10,14,17-19H,1-3,7,9H2
InChIKeyJZZIWNXWCOMWHC-UHFFFAOYSA-N
XLogP3.07
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544239
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
CID 107171927
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426163

Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol (CID 106359414) is [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol is OCC1CCCC1NCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol?
The InChIKey is JZZIWNXWCOMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-4-5-13-11(8-18-15(13)6-12)7-17-14-3-1-2-10(14)9-19/h4-6,8,10,14,17-19H,1-3,7,9H2.
What are the key properties of [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol?
[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol has a molecular weight of 278.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 106359414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).