N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine

C15H23ClN2 — CID 62511752

IUPACN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1cc(Cl)ccc1N1CCC(CNC(C)C)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)17-9-13-6-7-18(10-13)15-5-4-14(16)8-12(15)3/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3
InChIKeyDENHZKFLKVSBEU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds4

About N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62511752) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62511752
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1cc(Cl)ccc1N1CCC(CNC(C)C)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)17-9-13-6-7-18(10-13)15-5-4-14(16)8-12(15)3/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3
InChIKeyDENHZKFLKVSBEU-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
N-[[1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511727
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
N-[[1-(2-bromo-1H-pyrrol-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 141399761
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
N-[[1-(2-chloro-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241404
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62511752) is N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine is Cc1cc(Cl)ccc1N1CCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is DENHZKFLKVSBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)17-9-13-6-7-18(10-13)15-5-4-14(16)8-12(15)3/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62511752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).