N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

C18H29ClN2 — CID 81375624

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)N[C@@H](C)c2ccccc2Cl)C1
InChIInChI=1S/C18H29ClN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3/t14?,15-,16?/m0/s1
InChIKeyQQAPZJWXEOOREI-PCKAHOCUSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds6

About N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (PubChem CID 81375624) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
PubChem CID81375624
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)N[C@@H](C)c2ccccc2Cl)C1
InChIInChI=1S/C18H29ClN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3/t14?,15-,16?/m0/s1
InChIKeyQQAPZJWXEOOREI-PCKAHOCUSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (CID 81375624) is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is CCCN1CCCC(C(C)N[C@@H](C)c2ccccc2Cl)C1.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The InChIKey is QQAPZJWXEOOREI-PCKAHOCUSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3/t14?,15-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 81375624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).