3-methyl-2-(4-propoxyphenyl)pentan-2-amine

C15H25NO — CID 55120756

IUPAC3-methyl-2-(4-propoxyphenyl)pentan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(C)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-11-17-14-9-7-13(8-10-14)15(4,16)12(3)6-2/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeyFDZOLSKHNBVTLL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds6

About 3-methyl-2-(4-propoxyphenyl)pentan-2-amine

3-methyl-2-(4-propoxyphenyl)pentan-2-amine (PubChem CID 55120756) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-2-(4-propoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-2-(4-propoxyphenyl)pentan-2-amine
PubChem CID55120756
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methyl-2-(4-propoxyphenyl)pentan-2-amine
SMILESCCCOc1ccc(C(C)(N)C(C)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-11-17-14-9-7-13(8-10-14)15(4,16)12(3)6-2/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeyFDZOLSKHNBVTLL-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
1-methoxy-2-(4-propoxyphenyl)propan-2-amine
CID 62796268
2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
CID 61024007
2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
N-butan-2-yl-4-propoxyaniline
CID 21311789
1-propan-2-yloxy-4-propoxybenzene
CID 57276091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propoxyphenyl)pentan-2-amine?
The IUPAC name of 3-methyl-2-(4-propoxyphenyl)pentan-2-amine (CID 55120756) is 3-methyl-2-(4-propoxyphenyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-2-(4-propoxyphenyl)pentan-2-amine?
The canonical SMILES for 3-methyl-2-(4-propoxyphenyl)pentan-2-amine is CCCOc1ccc(C(C)(N)C(C)CC)cc1.
What is the InChIKey of 3-methyl-2-(4-propoxyphenyl)pentan-2-amine?
The InChIKey is FDZOLSKHNBVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-11-17-14-9-7-13(8-10-14)15(4,16)12(3)6-2/h7-10,12H,5-6,11,16H2,1-4H3.
What are the key properties of 3-methyl-2-(4-propoxyphenyl)pentan-2-amine?
3-methyl-2-(4-propoxyphenyl)pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propoxyphenyl)pentan-2-amine is sourced from PubChem (CID 55120756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).