N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine

C17H25ClN2 — CID 114851315

IUPACN-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccc(Cl)cc2CNC2CC2)CC1
InChIInChI=1S/C17H25ClN2/c1-13-3-2-9-20(10-8-13)17-7-4-15(18)11-14(17)12-19-16-5-6-16/h4,7,11,13,16,19H,2-3,5-6,8-10,12H2,1H3
InChIKeyJGHSEBOKPAXYIL-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.22
Rot. Bonds4

About N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114851315) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114851315
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccc(Cl)cc2CNC2CC2)CC1
InChIInChI=1S/C17H25ClN2/c1-13-3-2-9-20(10-8-13)17-7-4-15(18)11-14(17)12-19-16-5-6-16/h4,7,11,13,16,19H,2-3,5-6,8-10,12H2,1H3
InChIKeyJGHSEBOKPAXYIL-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(chloromethyl)phenyl]-4-methylazepane
CID 114846684
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114851124
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 81149690
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine (CID 114851315) is N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine is CC1CCCN(c2ccc(Cl)cc2CNC2CC2)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is JGHSEBOKPAXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-13-3-2-9-20(10-8-13)17-7-4-15(18)11-14(17)12-19-16-5-6-16/h4,7,11,13,16,19H,2-3,5-6,8-10,12H2,1H3.
What are the key properties of N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 292.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114851315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).