1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine

C18H29ClN2 — CID 63494166

IUPAC1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-11-20-17(15-7-5-8-16(19)14-15)9-13-21-12-6-10-18(21,2)3/h5,7-8,14,17,20H,4,6,9-13H2,1-3H3
InChIKeyCRPURYUPFGKILV-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.65
Rot. Bonds7

About 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine

1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 63494166) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID63494166
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-11-20-17(15-7-5-8-16(19)14-15)9-13-21-12-6-10-18(21,2)3/h5,7-8,14,17,20H,4,6,9-13H2,1-3H3
InChIKeyCRPURYUPFGKILV-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 63483276
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 63494166) is 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCCC1(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is CRPURYUPFGKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-11-20-17(15-7-5-8-16(19)14-15)9-13-21-12-6-10-18(21,2)3/h5,7-8,14,17,20H,4,6,9-13H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63494166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).