2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol

C15H25NO — CID 71034690

IUPAC2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cccc(CCCN)c1
InChIInChI=1S/C15H25NO/c1-14(2,3)15(4,17)13-9-5-7-12(11-13)8-6-10-16/h5,7,9,11,17H,6,8,10,16H2,1-4H3
InChIKeyLJFQNUCOWDTPEV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.83
Rot. Bonds4

About 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol

2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol (PubChem CID 71034690) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
PubChem CID71034690
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1cccc(CCCN)c1
InChIInChI=1S/C15H25NO/c1-14(2,3)15(4,17)13-9-5-7-12(11-13)8-6-10-16/h5,7,9,11,17H,6,8,10,16H2,1-4H3
InChIKeyLJFQNUCOWDTPEV-UHFFFAOYSA-N
XLogP2.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-aminopropyl)phenyl]-2,6-dimethylheptan-4-ol
CID 71229216
1-[3-(3-aminopropyl)phenyl]-2-methylhexan-2-ol
CID 42610750
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
3-(3-methylphenyl)propan-1-amine
CID 12666388
4-(3-ethylphenyl)-4-methylpentan-1-amine
CID 70653652
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
3-[3-(2,2-dimethylhexyl)phenyl]propan-1-amine
CID 71016135
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol (CID 71034690) is 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)c1cccc(CCCN)c1.
What is the InChIKey of 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol?
The InChIKey is LJFQNUCOWDTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)15(4,17)13-9-5-7-12(11-13)8-6-10-16/h5,7,9,11,17H,6,8,10,16H2,1-4H3.
What are the key properties of 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol?
2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 71034690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).