3-(1-aminoheptan-4-yl)phenol

C13H21NO — CID 83930253

IUPAC3-(1-aminoheptan-4-yl)phenol
SMILESCCCC(CCCN)c1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-2-5-11(7-4-9-14)12-6-3-8-13(15)10-12/h3,6,8,10-11,15H,2,4-5,7,9,14H2,1H3
InChIKeyMZILJZSSNHAICK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.01
Rot. Bonds6

About 3-(1-aminoheptan-4-yl)phenol

3-(1-aminoheptan-4-yl)phenol (PubChem CID 83930253) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(1-aminoheptan-4-yl)phenol.

Molecular Properties

Compound Name3-(1-aminoheptan-4-yl)phenol
PubChem CID83930253
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(1-aminoheptan-4-yl)phenol
SMILESCCCC(CCCN)c1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-2-5-11(7-4-9-14)12-6-3-8-13(15)10-12/h3,6,8,10-11,15H,2,4-5,7,9,14H2,1H3
InChIKeyMZILJZSSNHAICK-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-octan-4-ylphenol
CID 54137408
3-(1-fluorooctan-4-yl)phenol
CID 145284154
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
4-(3-ethylsulfonylphenyl)heptan-1-amine
CID 83926542
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
(3-octan-4-ylphenyl)methanamine
CID 142098371
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
4-(4-propylphenyl)heptan-1-amine
CID 83921500

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoheptan-4-yl)phenol?
The IUPAC name of 3-(1-aminoheptan-4-yl)phenol (CID 83930253) is 3-(1-aminoheptan-4-yl)phenol.
What is the SMILES notation for 3-(1-aminoheptan-4-yl)phenol?
The canonical SMILES for 3-(1-aminoheptan-4-yl)phenol is CCCC(CCCN)c1cccc(O)c1.
What is the InChIKey of 3-(1-aminoheptan-4-yl)phenol?
The InChIKey is MZILJZSSNHAICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-5-11(7-4-9-14)12-6-3-8-13(15)10-12/h3,6,8,10-11,15H,2,4-5,7,9,14H2,1H3.
What are the key properties of 3-(1-aminoheptan-4-yl)phenol?
3-(1-aminoheptan-4-yl)phenol has a molecular weight of 207.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoheptan-4-yl)phenol is sourced from PubChem (CID 83930253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).