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

C17H21NO — CID 79018967

IUPAC2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
SMILESCC(C)(CN)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,12-18)13-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3
InChIKeyAKZRGEMHOCFZHN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds5

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

2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine (PubChem CID 79018967) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
PubChem CID79018967
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
SMILESCC(C)(CN)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,12-18)13-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3
InChIKeyAKZRGEMHOCFZHN-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
2-[4-(3-amino-2,2-dimethylpropoxy)phenyl]acetic acid
CID 117094919
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
3-[(4-phenylphenoxy)methyl]pentan-3-ol
CID 114496033
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
CID 79626894
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(4-phenylphenoxy)butan-2-amine
CID 62039154

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine (CID 79018967) is 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine is CC(C)(CN)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine?
The InChIKey is AKZRGEMHOCFZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,12-18)13-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine?
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 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-phenylphenoxy)propan-1-amine is sourced from PubChem (CID 79018967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).