N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine

C20H27NO — CID 118530454

IUPACN,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
SMILESCc1ccc(OC(CCCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-17-12-14-19(15-13-17)22-20(11-7-8-16-21(2)3)18-9-5-4-6-10-18/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3
InChIKeyHNKWQPVWDLCSFV-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.85
Rot. Bonds8

About N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine

N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine (PubChem CID 118530454) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
PubChem CID118530454
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
SMILESCc1ccc(OC(CCCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-17-12-14-19(15-13-17)22-20(11-7-8-16-21(2)3)18-9-5-4-6-10-18/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3
InChIKeyHNKWQPVWDLCSFV-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
CID 58297766
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
CID 122424794
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
[4-[3-(dimethylamino)-1-phenylpropoxy]-3-methylphenyl] acetate
CID 67067621
5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 118530461
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
CID 24948507
ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
CID 22225835
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine?
The IUPAC name of N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine (CID 118530454) is N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine.
What is the SMILES notation for N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine?
The canonical SMILES for N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine is Cc1ccc(OC(CCCCN(C)C)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine?
The InChIKey is HNKWQPVWDLCSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-17-12-14-19(15-13-17)22-20(11-7-8-16-21(2)3)18-9-5-4-6-10-18/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3.
What are the key properties of N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine?
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine is sourced from PubChem (CID 118530454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).