N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine

C14H17ClN2 — CID 117173092

IUPACN-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
SMILESCn1c(CNC2CCC2)cc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2/c1-17-11(9-16-10-4-2-5-10)8-12-13(15)6-3-7-14(12)17/h3,6-8,10,16H,2,4-5,9H2,1H3
InChIKeyUYFRLFIJFBPJDX-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine

N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine (PubChem CID 117173092) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
PubChem CID117173092
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
SMILESCn1c(CNC2CCC2)cc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2/c1-17-11(9-16-10-4-2-5-10)8-12-13(15)6-3-7-14(12)17/h3,6-8,10,16H,2,4-5,9H2,1H3
InChIKeyUYFRLFIJFBPJDX-UHFFFAOYSA-N
XLogP3.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
2-[(cyclopentylamino)methyl]-1-methylindol-6-ol
CID 117180034
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine (CID 117173092) is N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine is Cn1c(CNC2CCC2)cc2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine?
The InChIKey is UYFRLFIJFBPJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-17-11(9-16-10-4-2-5-10)8-12-13(15)6-3-7-14(12)17/h3,6-8,10,16H,2,4-5,9H2,1H3.
What are the key properties of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine?
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine has a molecular weight of 248.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).