N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine

C19H33N — CID 43098047

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
SMILESCc1ccc(C(C)NCCCCCCC(C)C)cc1C
InChIInChI=1S/C19H33N/c1-15(2)10-8-6-7-9-13-20-18(5)19-12-11-16(3)17(4)14-19/h11-12,14-15,18,20H,6-10,13H2,1-5H3
InChIKeyZREPADVZBBSOAZ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.56
Rot. Bonds9

About N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine

N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine (PubChem CID 43098047) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
PubChem CID43098047
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
SMILESCc1ccc(C(C)NCCCCCCC(C)C)cc1C
InChIInChI=1S/C19H33N/c1-15(2)10-8-6-7-9-13-20-18(5)19-12-11-16(3)17(4)14-19/h11-12,14-15,18,20H,6-10,13H2,1-5H3
InChIKeyZREPADVZBBSOAZ-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine (CID 43098047) is N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine is Cc1ccc(C(C)NCCCCCCC(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine?
The InChIKey is ZREPADVZBBSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-15(2)10-8-6-7-9-13-20-18(5)19-12-11-16(3)17(4)14-19/h11-12,14-15,18,20H,6-10,13H2,1-5H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 43098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).