3-[(heptan-4-ylamino)methyl]phenol

C14H23NO — CID 115676717

IUPAC3-[(heptan-4-ylamino)methyl]phenol
SMILESCCCC(CCC)NCc1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-6-13(7-4-2)15-11-12-8-5-9-14(16)10-12/h5,8-10,13,15-16H,3-4,6-7,11H2,1-2H3
InChIKeyQRHGBNDHQAFDQV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.45
Rot. Bonds7

About 3-[(heptan-4-ylamino)methyl]phenol

3-[(heptan-4-ylamino)methyl]phenol (PubChem CID 115676717) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(heptan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(heptan-4-ylamino)methyl]phenol
PubChem CID115676717
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(heptan-4-ylamino)methyl]phenol
SMILESCCCC(CCC)NCc1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-6-13(7-4-2)15-11-12-8-5-9-14(16)10-12/h5,8-10,13,15-16H,3-4,6-7,11H2,1-2H3
InChIKeyQRHGBNDHQAFDQV-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(octan-3-ylamino)methyl]phenol
CID 82364591
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
3-(propylaminomethyl)phenol
CID 10725714
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106

Frequently Asked Questions

What is the IUPAC name of 3-[(heptan-4-ylamino)methyl]phenol?
The IUPAC name of 3-[(heptan-4-ylamino)methyl]phenol (CID 115676717) is 3-[(heptan-4-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(heptan-4-ylamino)methyl]phenol?
The canonical SMILES for 3-[(heptan-4-ylamino)methyl]phenol is CCCC(CCC)NCc1cccc(O)c1.
What is the InChIKey of 3-[(heptan-4-ylamino)methyl]phenol?
The InChIKey is QRHGBNDHQAFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-6-13(7-4-2)15-11-12-8-5-9-14(16)10-12/h5,8-10,13,15-16H,3-4,6-7,11H2,1-2H3.
What are the key properties of 3-[(heptan-4-ylamino)methyl]phenol?
3-[(heptan-4-ylamino)methyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(heptan-4-ylamino)methyl]phenol is sourced from PubChem (CID 115676717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).