2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine

C17H21NO — CID 95464223

IUPAC2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
SMILESCC(C)(CN)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,13-18)12-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3
InChIKeyVDWVLUBAVIFFPT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.01
Rot. Bonds5

About 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine

2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine (PubChem CID 95464223) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
PubChem CID95464223
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
SMILESCC(C)(CN)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,13-18)12-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3
InChIKeyVDWVLUBAVIFFPT-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
CID 62354841
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
phenoxybenzene;propane-2,2-diol
CID 174556232
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine (CID 95464223) is 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine is CC(C)(CN)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine?
The InChIKey is VDWVLUBAVIFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,13-18)12-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine?
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 95464223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).