1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine

C17H27ClN2 — CID 114862216

IUPAC1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCCCN1c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H27ClN2/c1-3-16-7-5-4-6-10-20(16)17-12-15(18)9-8-14(17)11-13(2)19/h8-9,12-13,16H,3-7,10-11,19H2,1-2H3
InChIKeyDXXCSKQSYDLFRT-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.39
Rot. Bonds4

About 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine

1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine (PubChem CID 114862216) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
PubChem CID114862216
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCCCN1c1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H27ClN2/c1-3-16-7-5-4-6-10-20(16)17-12-15(18)9-8-14(17)11-13(2)19/h8-9,12-13,16H,3-7,10-11,19H2,1-2H3
InChIKeyDXXCSKQSYDLFRT-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
N-[[4-chloro-2-(2-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847936
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-chlorophenyl]propan-2-amine
CID 114862123
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
[1-[5-chloro-2-(ethylaminomethyl)phenyl]azepan-2-yl]methanol
CID 114853911
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine (CID 114862216) is 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine is CCC1CCCCCN1c1cc(Cl)ccc1CC(C)N.
What is the InChIKey of 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine?
The InChIKey is DXXCSKQSYDLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-16-7-5-4-6-10-20(16)17-12-15(18)9-8-14(17)11-13(2)19/h8-9,12-13,16H,3-7,10-11,19H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114862216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).