1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine

C15H23ClN2 — CID 63623731

IUPAC1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc(C(C)N)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-11-4-3-8-18(9-7-11)15-6-5-13(12(2)17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3
InChIKeyAVMVDRAHFKCZPY-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.99
Rot. Bonds2

About 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine

1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine (PubChem CID 63623731) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
PubChem CID63623731
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc(C(C)N)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-11-4-3-8-18(9-7-11)15-6-5-13(12(2)17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3
InChIKeyAVMVDRAHFKCZPY-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine (CID 63623731) is 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine is CC1CCCN(c2ccc(C(C)N)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine?
The InChIKey is AVMVDRAHFKCZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-4-3-8-18(9-7-11)15-6-5-13(12(2)17)10-14(15)16/h5-6,10-12H,3-4,7-9,17H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine?
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63623731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).