2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline

C18H29ClN2 — CID 114861576

IUPAC2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-17(20)11-15-9-10-16(19)12-18(15)21(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13,20H2,1-2H3
InChIKeyYKOKUUAARPADTE-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds6

About 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline

2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline (PubChem CID 114861576) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
PubChem CID114861576
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-17(20)11-15-9-10-16(19)12-18(15)21(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13,20H2,1-2H3
InChIKeyYKOKUUAARPADTE-UHFFFAOYSA-N
XLogP4.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
2-(bromomethyl)-5-chloro-N-(cyclobutylmethyl)-N-methylaniline
CID 107082881
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline (CID 114861576) is 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline is CCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCCC1.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The InChIKey is YKOKUUAARPADTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-17(20)11-15-9-10-16(19)12-18(15)21(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline?
2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline has a molecular weight of 308.90 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline is sourced from PubChem (CID 114861576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).