2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline

C17H27ClN2 — CID 114861570

IUPAC2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCC(N)Cc1cc(Cl)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27ClN2/c1-13(19)10-15-11-16(18)8-9-17(15)20(2)12-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,12,19H2,1-2H3
InChIKeyUDIVDOSYSRONNE-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds5

About 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline

2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline (PubChem CID 114861570) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
PubChem CID114861570
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESCC(N)Cc1cc(Cl)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27ClN2/c1-13(19)10-15-11-16(18)8-9-17(15)20(2)12-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,12,19H2,1-2H3
InChIKeyUDIVDOSYSRONNE-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861576
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
2-(bromomethyl)-5-chloro-N-(cyclobutylmethyl)-N-methylaniline
CID 107082881
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline (CID 114861570) is 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline is CC(N)Cc1cc(Cl)ccc1N(C)CC1CCCCC1.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The InChIKey is UDIVDOSYSRONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(19)10-15-11-16(18)8-9-17(15)20(2)12-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,12,19H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline?
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline has a molecular weight of 294.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline is sourced from PubChem (CID 114861570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).