2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol

C16H27NO — CID 116945596

IUPAC2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
SMILESCC(C)Cc1ccc(C(N)C(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-11(2)9-13-5-7-14(8-6-13)16(17)15(10-18)12(3)4/h5-8,11-12,15-16,18H,9-10,17H2,1-4H3
InChIKeyZTZKCEJVBNTXGG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds6

About 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol

2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol (PubChem CID 116945596) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
PubChem CID116945596
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
SMILESCC(C)Cc1ccc(C(N)C(CO)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-11(2)9-13-5-7-14(8-6-13)16(17)15(10-18)12(3)4/h5-8,11-12,15-16,18H,9-10,17H2,1-4H3
InChIKeyZTZKCEJVBNTXGG-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 116945869
2-[amino-(4-methylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116945647
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
CID 116945692
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
(2S)-2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 79250497
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
CID 64614387
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol (CID 116945596) is 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol is CC(C)Cc1ccc(C(N)C(CO)C(C)C)cc1.
What is the InChIKey of 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol?
The InChIKey is ZTZKCEJVBNTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)9-13-5-7-14(8-6-13)16(17)15(10-18)12(3)4/h5-8,11-12,15-16,18H,9-10,17H2,1-4H3.
What are the key properties of 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol?
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).