N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride

C14H23ClN2 — CID 53487306

IUPACN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
SMILESCNC(CCN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H
InChIKeyCSXDHYHPAOFRND-UHFFFAOYSA-N
MW254.81 g/mol
LogP2.85
Rot. Bonds5

About N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride

N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride (PubChem CID 53487306) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
PubChem CID53487306
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
SMILESCNC(CCN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H
InChIKeyCSXDHYHPAOFRND-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride (CID 53487306) is N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride is CNC(CCN1CCCC1)c1ccccc1.Cl.
What is the InChIKey of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride?
The InChIKey is CSXDHYHPAOFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H.
What are the key properties of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride?
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride has a molecular weight of 254.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 53487306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).