2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine

C15H25N — CID 95443580

IUPAC2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(CC(C)(C)CN)cc1
InChIInChI=1S/C15H25N/c1-12(2)9-13-5-7-14(8-6-13)10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3
InChIKeyJGNLSOBOJWPTJH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.41
Rot. Bonds5

About 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine

2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 95443580) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID95443580
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(CC(C)(C)CN)cc1
InChIInChI=1S/C15H25N/c1-12(2)9-13-5-7-14(8-6-13)10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3
InChIKeyJGNLSOBOJWPTJH-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115132013
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
CID 126736482
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine (CID 95443580) is 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine is CC(C)Cc1ccc(CC(C)(C)CN)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is JGNLSOBOJWPTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)9-13-5-7-14(8-6-13)10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine?
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 95443580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).