3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine

C19H33NO — CID 43770151

IUPAC3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
SMILESCC(C)COCCCNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-16(2)15-21-13-9-12-20-18(14-19(3,4)5)17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3
InChIKeyHKNMPEQILKHBHM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds9

About 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine

3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine (PubChem CID 43770151) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
PubChem CID43770151
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
SMILESCC(C)COCCCNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-16(2)15-21-13-9-12-20-18(14-19(3,4)5)17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3
InChIKeyHKNMPEQILKHBHM-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-ynyl-3,3-dimethyl-1-phenylbutan-1-amine
CID 106209698
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
CID 103950593
1-[2-(dimethylamino)-1-phenylethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 86994311
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3,3-dimethyl-1-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine
CID 106427012
N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
CID 63421587
3-[(3,3-dimethyl-1-phenylbutyl)amino]-2-methylpropanenitrile
CID 62648165
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 106125736
N-(2-chloro-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65026203
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine (CID 43770151) is 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine is CC(C)COCCCNC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine?
The InChIKey is HKNMPEQILKHBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-16(2)15-21-13-9-12-20-18(14-19(3,4)5)17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,9,12-15H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine?
3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43770151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).