2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine

C19H25NO — CID 65256122

IUPAC2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
SMILESCC(C)(CN)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,15-20)13-6-14-21-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15,20H2,1-2H3
InChIKeyAZFPISCXSJKZRT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds7

About 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine

2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine (PubChem CID 65256122) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
PubChem CID65256122
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
SMILESCC(C)(CN)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,15-20)13-6-14-21-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15,20H2,1-2H3
InChIKeyAZFPISCXSJKZRT-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
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

2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
methyl 2,2-dimethyl-5-(4-phenylphenoxy)pentanoate
CID 141200421
1-pentoxy-4-phenylbenzene
CID 7021155
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
2,2-dimethyl-6-(4-methylsulfonylphenoxy)hexan-1-amine
CID 106708655
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
5-[4-[4-(4-carboxy-4-methylpentoxy)phenyl]phenoxy]-2,2-dimethylpentanoic acid
CID 13050541
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine (CID 65256122) is 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine is CC(C)(CN)CCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine?
The InChIKey is AZFPISCXSJKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,15-20)13-6-14-21-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15,20H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine?
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine is sourced from PubChem (CID 65256122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).