2-(6-aminoheptan-3-yl)-4-methylphenol

C14H23NO — CID 83922878

IUPAC2-(6-aminoheptan-3-yl)-4-methylphenol
SMILESCCC(CCC(C)N)c1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-4-12(7-6-11(3)15)13-9-10(2)5-8-14(13)16/h5,8-9,11-12,16H,4,6-7,15H2,1-3H3
InChIKeyRDVFZUFCZOYDPR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds5

About 2-(6-aminoheptan-3-yl)-4-methylphenol

2-(6-aminoheptan-3-yl)-4-methylphenol (PubChem CID 83922878) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(6-aminoheptan-3-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(6-aminoheptan-3-yl)-4-methylphenol
PubChem CID83922878
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(6-aminoheptan-3-yl)-4-methylphenol
SMILESCCC(CCC(C)N)c1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-4-12(7-6-11(3)15)13-9-10(2)5-8-14(13)16/h5,8-9,11-12,16H,4,6-7,15H2,1-3H3
InChIKeyRDVFZUFCZOYDPR-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hex-5-en-3-yl-4-methylphenol
CID 83922900
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
CID 83922921
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
5-methyl-2-pentan-3-ylphenol
CID 67240040
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
2-[(1R)-1,5-diaminopentyl]-4-methylphenol;hydrochloride
CID 171202303
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoheptan-3-yl)-4-methylphenol?
The IUPAC name of 2-(6-aminoheptan-3-yl)-4-methylphenol (CID 83922878) is 2-(6-aminoheptan-3-yl)-4-methylphenol.
What is the SMILES notation for 2-(6-aminoheptan-3-yl)-4-methylphenol?
The canonical SMILES for 2-(6-aminoheptan-3-yl)-4-methylphenol is CCC(CCC(C)N)c1cc(C)ccc1O.
What is the InChIKey of 2-(6-aminoheptan-3-yl)-4-methylphenol?
The InChIKey is RDVFZUFCZOYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(7-6-11(3)15)13-9-10(2)5-8-14(13)16/h5,8-9,11-12,16H,4,6-7,15H2,1-3H3.
What are the key properties of 2-(6-aminoheptan-3-yl)-4-methylphenol?
2-(6-aminoheptan-3-yl)-4-methylphenol has a molecular weight of 221.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoheptan-3-yl)-4-methylphenol is sourced from PubChem (CID 83922878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).