N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C16H25ClN2 — CID 43100371

IUPACN-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C16H25ClN2/c1-13(2)16(19-8-3-4-9-19)12-18-11-14-6-5-7-15(17)10-14/h5-7,10,13,16,18H,3-4,8-9,11-12H2,1-2H3
InChIKeyXINPTXZYDJLFFF-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.55
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 43100371) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID43100371
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C16H25ClN2/c1-13(2)16(19-8-3-4-9-19)12-18-11-14-6-5-7-15(17)10-14/h5-7,10,13,16,18H,3-4,8-9,11-12H2,1-2H3
InChIKeyXINPTXZYDJLFFF-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43111449
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
3-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 60760102
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 60958068
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43804204
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 66399253
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100745
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 43100371) is N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CC(C)C(CNCc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is XINPTXZYDJLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(2)16(19-8-3-4-9-19)12-18-11-14-6-5-7-15(17)10-14/h5-7,10,13,16,18H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 43100371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).