3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine

C19H25NO — CID 82712727

IUPAC3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
SMILESCC(C)(C)CC(NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-21-15-16-10-6-4-7-11-16/h4-13,18,20H,14-15H2,1-3H3
InChIKeyLAXRKPCIGUBIIZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.89
Rot. Bonds6

About 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine

3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine (PubChem CID 82712727) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
PubChem CID82712727
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
SMILESCC(C)(C)CC(NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-21-15-16-10-6-4-7-11-16/h4-13,18,20H,14-15H2,1-3H3
InChIKeyLAXRKPCIGUBIIZ-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
CID 82710316
N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
CID 63421587
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
CID 82709043
2,2-dimethyl-N-phenylmethoxyheptan-3-amine
CID 15416347
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712825
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine (CID 82712727) is 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine is CC(C)(C)CC(NOCc1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine?
The InChIKey is LAXRKPCIGUBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-21-15-16-10-6-4-7-11-16/h4-13,18,20H,14-15H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine?
3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine is sourced from PubChem (CID 82712727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).