(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine

C13H15ClN2 — CID 82277722

IUPAC(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
SMILESNC(c1c[nH]c2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C13H15ClN2/c14-9-4-5-10-11(7-16-12(10)6-9)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2
InChIKeyOTPNMBUQRBVACJ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.62
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine

(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine (PubChem CID 82277722) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
PubChem CID82277722
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
SMILESNC(c1c[nH]c2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C13H15ClN2/c14-9-4-5-10-11(7-16-12(10)6-9)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2
InChIKeyOTPNMBUQRBVACJ-UHFFFAOYSA-N
XLogP3.62
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
CID 88561394
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine?
The IUPAC name of (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine (CID 82277722) is (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine is NC(c1c[nH]c2cc(Cl)ccc12)C1CCC1.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine?
The InChIKey is OTPNMBUQRBVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-9-4-5-10-11(7-16-12(10)6-9)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine?
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine has a molecular weight of 234.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-cyclobutylmethanamine is sourced from PubChem (CID 82277722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).