2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol

C15H25NO — CID 106508285

IUPAC2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-15(10-16,11-17)9-13-5-7-14(8-6-13)12(2)3/h5-8,12,17H,4,9-11,16H2,1-3H3
InChIKeyTUAIOUJTAVBEFZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.70
Rot. Bonds6

About 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol

2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol (PubChem CID 106508285) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
PubChem CID106508285
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-15(10-16,11-17)9-13-5-7-14(8-6-13)12(2)3/h5-8,12,17H,4,9-11,16H2,1-3H3
InChIKeyTUAIOUJTAVBEFZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 106508343
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
2-methyl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-ol
CID 102641912
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112567251
1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 65147096
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol (CID 106508285) is 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol is CCC(CN)(CO)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The InChIKey is TUAIOUJTAVBEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(10-16,11-17)9-13-5-7-14(8-6-13)12(2)3/h5-8,12,17H,4,9-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 106508285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).