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

C16H26Cl2N2 — CID 120898515

IUPACN-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)N(Cc1cccc(Cl)c1)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2.ClH/c1-13(2)19(12-16(3)7-8-18-11-16)10-14-5-4-6-15(17)9-14;/h4-6,9,13,18H,7-8,10-12H2,1-3H3;1H
InChIKeyUHGDCPQBRUSODL-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.97
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride (PubChem CID 120898515) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
PubChem CID120898515
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)N(Cc1cccc(Cl)c1)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H25ClN2.ClH/c1-13(2)19(12-16(3)7-8-18-11-16)10-14-5-4-6-15(17)9-14;/h4-6,9,13,18H,7-8,10-12H2,1-3H3;1H
InChIKeyUHGDCPQBRUSODL-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride (CID 120898515) is N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride is CC(C)N(Cc1cccc(Cl)c1)CC1(C)CCNC1.Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
The InChIKey is UHGDCPQBRUSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2.ClH/c1-13(2)19(12-16(3)7-8-18-11-16)10-14-5-4-6-15(17)9-14;/h4-6,9,13,18H,7-8,10-12H2,1-3H3;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride?
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride has a molecular weight of 317.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120898515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).