2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline

C18H29ClN2 — CID 63815860

IUPAC2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCCC(N)Cc1c(Cl)cccc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-15(20)12-16-17(19)10-7-11-18(16)21(2)13-14-8-5-4-6-9-14/h7,10-11,14-15H,3-6,8-9,12-13,20H2,1-2H3
InChIKeyFWSFXGNCIGNCTO-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds6

About 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline

2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline (PubChem CID 63815860) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
PubChem CID63815860
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCCC(N)Cc1c(Cl)cccc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-3-15(20)12-16-17(19)10-7-11-18(16)21(2)13-14-8-5-4-6-9-14/h7,10-11,14-15H,3-6,8-9,12-13,20H2,1-2H3
InChIKeyFWSFXGNCIGNCTO-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

3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861576
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
3-chloro-2-(chloromethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713629

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline (CID 63815860) is 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline is CCC(N)Cc1c(Cl)cccc1N(C)CC1CCCCC1.
What is the InChIKey of 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The InChIKey is FWSFXGNCIGNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-15(20)12-16-17(19)10-7-11-18(16)21(2)13-14-8-5-4-6-9-14/h7,10-11,14-15H,3-6,8-9,12-13,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline?
2-(2-aminobutyl)-3-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)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline is sourced from PubChem (CID 63815860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).