(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine

C20H27N — CID 122424794

IUPAC(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
SMILESCc1cccc([C@H](CCCCN(C)C)c2ccccc2)c1
InChIInChI=1S/C20H27N/c1-17-10-9-13-19(16-17)20(14-7-8-15-21(2)3)18-11-5-4-6-12-18/h4-6,9-13,16,20H,7-8,14-15H2,1-3H3/t20-/m1/s1
InChIKeyFIYDTVCCNMIASM-HXUWFJFHSA-N
MW281.44 g/mol
LogP4.86
Rot. Bonds7

About (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine

(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine (PubChem CID 122424794) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine.

Molecular Properties

Compound Name(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
PubChem CID122424794
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine
SMILESCc1cccc([C@H](CCCCN(C)C)c2ccccc2)c1
InChIInChI=1S/C20H27N/c1-17-10-9-13-19(16-17)20(14-7-8-15-21(2)3)18-11-5-4-6-12-18/h4-6,9-13,16,20H,7-8,14-15H2,1-3H3/t20-/m1/s1
InChIKeyFIYDTVCCNMIASM-HXUWFJFHSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
CID 59775365
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
CID 23276099
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398

Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine?
The IUPAC name of (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine (CID 122424794) is (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine.
What is the SMILES notation for (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine?
The canonical SMILES for (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine is Cc1cccc([C@H](CCCCN(C)C)c2ccccc2)c1.
What is the InChIKey of (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine?
The InChIKey is FIYDTVCCNMIASM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N/c1-17-10-9-13-19(16-17)20(14-7-8-15-21(2)3)18-11-5-4-6-12-18/h4-6,9-13,16,20H,7-8,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine?
(5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-dimethyl-5-(3-methylphenyl)-5-phenylpentan-1-amine is sourced from PubChem (CID 122424794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).