3-[(3-aminopentylamino)methyl]phenol

C12H20N2O — CID 163670713

IUPAC3-[(3-aminopentylamino)methyl]phenol
SMILESCCC(N)CCNCc1cccc(O)c1
InChIInChI=1S/C12H20N2O/c1-2-11(13)6-7-14-9-10-4-3-5-12(15)8-10/h3-5,8,11,14-15H,2,6-7,9,13H2,1H3
InChIKeyJCHBZJQUYSMJPU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.61
Rot. Bonds6

About 3-[(3-aminopentylamino)methyl]phenol

3-[(3-aminopentylamino)methyl]phenol (PubChem CID 163670713) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[(3-aminopentylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(3-aminopentylamino)methyl]phenol
PubChem CID163670713
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[(3-aminopentylamino)methyl]phenol
SMILESCCC(N)CCNCc1cccc(O)c1
InChIInChI=1S/C12H20N2O/c1-2-11(13)6-7-14-9-10-4-3-5-12(15)8-10/h3-5,8,11,14-15H,2,6-7,9,13H2,1H3
InChIKeyJCHBZJQUYSMJPU-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propylaminomethyl)phenol
CID 10725714
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
(3S)-4-(3,5-difluorophenyl)-1-N-[(3-ethylphenyl)methyl]butane-1,3-diamine
CID 69324163
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopentylamino)methyl]phenol?
The IUPAC name of 3-[(3-aminopentylamino)methyl]phenol (CID 163670713) is 3-[(3-aminopentylamino)methyl]phenol.
What is the SMILES notation for 3-[(3-aminopentylamino)methyl]phenol?
The canonical SMILES for 3-[(3-aminopentylamino)methyl]phenol is CCC(N)CCNCc1cccc(O)c1.
What is the InChIKey of 3-[(3-aminopentylamino)methyl]phenol?
The InChIKey is JCHBZJQUYSMJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-11(13)6-7-14-9-10-4-3-5-12(15)8-10/h3-5,8,11,14-15H,2,6-7,9,13H2,1H3.
What are the key properties of 3-[(3-aminopentylamino)methyl]phenol?
3-[(3-aminopentylamino)methyl]phenol has a molecular weight of 208.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopentylamino)methyl]phenol is sourced from PubChem (CID 163670713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).