2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol

C15H25NO — CID 79412165

IUPAC2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-14(10-16)15(17)13-8-6-12(7-9-13)11(2)3/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyIEKRNAUOYGNGTH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.22
Rot. Bonds6

About 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol

2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol (PubChem CID 79412165) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
PubChem CID79412165
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-14(10-16)15(17)13-8-6-12(7-9-13)11(2)3/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyIEKRNAUOYGNGTH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-[4-(dimethylamino)phenyl]pentan-1-ol
CID 79415929
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
1-phenyl-2-propylpentan-1-ol
CID 82987900
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
5-(aminomethyl)-2,3-dimethyloctan-4-ol
CID 79411447
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol (CID 79412165) is 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol is CCCC(CN)C(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol?
The InChIKey is IEKRNAUOYGNGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-14(10-16)15(17)13-8-6-12(7-9-13)11(2)3/h6-9,11,14-15,17H,4-5,10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol?
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol is sourced from PubChem (CID 79412165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).