2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline

C18H29ClN2 — CID 78951235

IUPAC2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCCC(N)Cc1c(Cl)cccc1N(CCC(C)C)C1CC1
InChIInChI=1S/C18H29ClN2/c1-4-14(20)12-16-17(19)6-5-7-18(16)21(15-8-9-15)11-10-13(2)3/h5-7,13-15H,4,8-12,20H2,1-3H3
InChIKeyRNAKMOVYLGQOMM-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.63
Rot. Bonds8

About 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline

2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline (PubChem CID 78951235) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
PubChem CID78951235
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCCC(N)Cc1c(Cl)cccc1N(CCC(C)C)C1CC1
InChIInChI=1S/C18H29ClN2/c1-4-14(20)12-16-17(19)6-5-7-18(16)21(15-8-9-15)11-10-13(2)3/h5-7,13-15H,4,8-12,20H2,1-3H3
InChIKeyRNAKMOVYLGQOMM-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 63817438
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
N'-[2-(2-aminobutyl)-3-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998247
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 63786686
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline (CID 78951235) is 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline is CCC(N)Cc1c(Cl)cccc1N(CCC(C)C)C1CC1.
What is the InChIKey of 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline?
The InChIKey is RNAKMOVYLGQOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-14(20)12-16-17(19)6-5-7-18(16)21(15-8-9-15)11-10-13(2)3/h5-7,13-15H,4,8-12,20H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline?
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline has a molecular weight of 308.90 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 78951235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).