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

C18H29ClN2 — CID 43104352

IUPACN-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(NCC(C(C)C)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-17(15-8-7-9-16(19)12-15)20-13-18(14(2)3)21-10-5-6-11-21/h7-9,12,14,17-18,20H,4-6,10-11,13H2,1-3H3
InChIKeyDLRRGROPOYWMHM-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds7

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

N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 43104352) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID43104352
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(NCC(C(C)C)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-17(15-8-7-9-16(19)12-15)20-13-18(14(2)3)21-10-5-6-11-21/h7-9,12,14,17-18,20H,4-6,10-11,13H2,1-3H3
InChIKeyDLRRGROPOYWMHM-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43103361
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
N-[1-(furan-2-yl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 62634141
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-bromophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207807
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 43104352) is N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(NCC(C(C)C)N1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is DLRRGROPOYWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-17(15-8-7-9-16(19)12-15)20-13-18(14(2)3)21-10-5-6-11-21/h7-9,12,14,17-18,20H,4-6,10-11,13H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 43104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).