N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

C17H27ClN2 — CID 43080661

IUPACN-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC(NCCCN1CCCCC1C)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2/c1-14-8-5-6-12-20(14)13-7-11-19-15(2)16-9-3-4-10-17(16)18/h3-4,9-10,14-15,19H,5-8,11-13H2,1-2H3
InChIKeyMGPQNZOUZAMPOM-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 43080661) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID43080661
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC(NCCCN1CCCCC1C)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2/c1-14-8-5-6-12-20(14)13-7-11-19-15(2)16-9-3-4-10-17(16)18/h3-4,9-10,14-15,19H,5-8,11-13H2,1-2H3
InChIKeyMGPQNZOUZAMPOM-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43760694
N-[1-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43193227
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
CID 56819750
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 43080661) is N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is CC(NCCCN1CCCCC1C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is MGPQNZOUZAMPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-14-8-5-6-12-20(14)13-7-11-19-15(2)16-9-3-4-10-17(16)18/h3-4,9-10,14-15,19H,5-8,11-13H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 43080661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).