N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine

C18H31N — CID 106023750

IUPACN-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-10-17(9-7-2)19-16(5)18-12-11-14(3)13-15(18)4/h11-13,16-17,19H,6-10H2,1-5H3
InChIKeyHERZECUAUWNUCV-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.31
Rot. Bonds8

About N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine

N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine (PubChem CID 106023750) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
PubChem CID106023750
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-10-17(9-7-2)19-16(5)18-12-11-14(3)13-15(18)4/h11-13,16-17,19H,6-10H2,1-5H3
InChIKeyHERZECUAUWNUCV-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103389173
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
N-[1-(2,4-dimethylphenyl)ethyl]hex-5-yn-3-amine
CID 113262096
2-[1-(octan-4-ylamino)ethyl]benzene-1,4-diol
CID 106023539
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
CID 63449366
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine (CID 106023750) is N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine is CCCCC(CCC)NC(C)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine?
The InChIKey is HERZECUAUWNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-10-17(9-7-2)19-16(5)18-12-11-14(3)13-15(18)4/h11-13,16-17,19H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine?
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine has a molecular weight of 261.45 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine is sourced from PubChem (CID 106023750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).