4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol

C17H30N2O — CID 115317129

IUPAC4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
SMILESCC(C)C(N)CCN(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)17(18)11-12-19(4)14(3)5-6-15-7-9-16(20)10-8-15/h7-10,13-14,17,20H,5-6,11-12,18H2,1-4H3
InChIKeyVMWADIMHPTWNIM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.02
Rot. Bonds8

About 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol

4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol (PubChem CID 115317129) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
PubChem CID115317129
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
SMILESCC(C)C(N)CCN(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)17(18)11-12-19(4)14(3)5-6-15-7-9-16(20)10-8-15/h7-10,13-14,17,20H,5-6,11-12,18H2,1-4H3
InChIKeyVMWADIMHPTWNIM-UHFFFAOYSA-N
XLogP3.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
CID 65067870
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678
4-(3-methylpentyl)phenol
CID 57225129
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol (CID 115317129) is 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol is CC(C)C(N)CCN(C)C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol?
The InChIKey is VMWADIMHPTWNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)17(18)11-12-19(4)14(3)5-6-15-7-9-16(20)10-8-15/h7-10,13-14,17,20H,5-6,11-12,18H2,1-4H3.
What are the key properties of 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol?
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol has a molecular weight of 278.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol is sourced from PubChem (CID 115317129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).