N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane

C25H38ClN — CID 142139096

IUPACN-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane
SMILESCC.CCCCC(C)CCN(Cc1ccc(C)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN.C2H6/c1-4-5-6-19(2)15-16-25(17-21-9-7-20(3)8-10-21)18-22-11-13-23(24)14-12-22;1-2/h7-14,19H,4-6,15-18H2,1-3H3;1-2H3
InChIKeyVQCYJGURFYXIFI-UHFFFAOYSA-N
MW388.04 g/mol
LogP7.89
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane

N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane (PubChem CID 142139096) has the molecular formula C25H38ClN and a molecular weight of 388.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane
PubChem CID142139096
Molecular FormulaC25H38ClN
Molecular Weight388.04 g/mol
Exact Mass387.27
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane
SMILESCC.CCCCC(C)CCN(Cc1ccc(C)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN.C2H6/c1-4-5-6-19(2)15-16-25(17-21-9-7-20(3)8-10-21)18-22-11-13-23(24)14-12-22;1-2/h7-14,19H,4-6,15-18H2,1-3H3;1-2H3
InChIKeyVQCYJGURFYXIFI-UHFFFAOYSA-N
XLogP7.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.04
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]butan-1-amine
CID 63389176
1-chloro-4-methylbenzene;pentane
CID 142041532
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
N-(2-bromoethyl)-N-[(4-chlorophenyl)methyl]propan-1-amine
CID 80680270
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
2-[(4-chlorophenyl)methyl-propylamino]acetonitrile
CID 12861903
butane;3-methyloctane;1,4-xylene
CID 144940276
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
2-methyl-3-[3-methylbutyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82328907

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane (CID 142139096) is N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane is CC.CCCCC(C)CCN(Cc1ccc(C)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane?
The InChIKey is VQCYJGURFYXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN.C2H6/c1-4-5-6-19(2)15-16-25(17-21-9-7-20(3)8-10-21)18-22-11-13-23(24)14-12-22;1-2/h7-14,19H,4-6,15-18H2,1-3H3;1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane?
N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane has a molecular weight of 388.04 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]heptan-1-amine;ethane is sourced from PubChem (CID 142139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).