1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride

C16H26Cl2N2 — CID 120900789

IUPAC1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2.ClH/c1-13(10-14-4-6-15(17)7-5-14)19(3)12-16(2)8-9-18-11-16;/h4-7,13,18H,8-12H2,1-3H3;1H
InChIKeyOEAYNZNJYDHZQI-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride

1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride (PubChem CID 120900789) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
PubChem CID120900789
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2.ClH/c1-13(10-14-4-6-15(17)7-5-14)19(3)12-16(2)8-9-18-11-16;/h4-7,13,18H,8-12H2,1-3H3;1H
InChIKeyOEAYNZNJYDHZQI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120904450
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120898515
2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120897491
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine;hydrochloride
CID 120904436
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899800
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
CID 114235700
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride (CID 120900789) is 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride is CC(Cc1ccc(Cl)cc1)N(C)CC1(C)CCNC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The InChIKey is OEAYNZNJYDHZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2.ClH/c1-13(10-14-4-6-15(17)7-5-14)19(3)12-16(2)8-9-18-11-16;/h4-7,13,18H,8-12H2,1-3H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride has a molecular weight of 317.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).