1-(2,5-dimethylphenyl)-4-methylpentan-1-amine

C14H23N — CID 43100717

IUPAC1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(C)c(C(N)CCC(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)5-8-14(15)13-9-11(3)6-7-12(13)4/h6-7,9-10,14H,5,8,15H2,1-4H3
InChIKeyDDDMPLOZRGIQFX-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine

1-(2,5-dimethylphenyl)-4-methylpentan-1-amine (PubChem CID 43100717) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
PubChem CID43100717
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(C)c(C(N)CCC(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)5-8-14(15)13-9-11(3)6-7-12(13)4/h6-7,9-10,14H,5,8,15H2,1-4H3
InChIKeyDDDMPLOZRGIQFX-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
CID 71246988
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine (CID 43100717) is 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine is Cc1ccc(C)c(C(N)CCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine?
The InChIKey is DDDMPLOZRGIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)5-8-14(15)13-9-11(3)6-7-12(13)4/h6-7,9-10,14H,5,8,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine?
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 43100717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).