1-(2-methylphenyl)heptan-3-amine

C14H23N — CID 105125604

IUPAC1-(2-methylphenyl)heptan-3-amine
SMILESCCCCC(N)CCc1ccccc1C
InChIInChI=1S/C14H23N/c1-3-4-9-14(15)11-10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,15H2,1-2H3
InChIKeyPYXHFLGBMJELNT-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-methylphenyl)heptan-3-amine

1-(2-methylphenyl)heptan-3-amine (PubChem CID 105125604) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)heptan-3-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)heptan-3-amine
PubChem CID105125604
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name1-(2-methylphenyl)heptan-3-amine
SMILESCCCCC(N)CCc1ccccc1C
InChIInChI=1S/C14H23N/c1-3-4-9-14(15)11-10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,15H2,1-2H3
InChIKeyPYXHFLGBMJELNT-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)oct-7-yn-3-amine
CID 105179672
1-(2-methylphenyl)decan-3-ol
CID 105085012
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-phenyloctan-4-amine
CID 79413314
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)heptan-3-amine?
The IUPAC name of 1-(2-methylphenyl)heptan-3-amine (CID 105125604) is 1-(2-methylphenyl)heptan-3-amine.
What is the SMILES notation for 1-(2-methylphenyl)heptan-3-amine?
The canonical SMILES for 1-(2-methylphenyl)heptan-3-amine is CCCCC(N)CCc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)heptan-3-amine?
The InChIKey is PYXHFLGBMJELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-9-14(15)11-10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,15H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)heptan-3-amine?
1-(2-methylphenyl)heptan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105125604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).