N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine

C27H33NO — CID 3046455

IUPACN,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine
SMILESCc1ccc(C(OCCN(C)C(C)(C)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H33NO/c1-22-15-17-25(18-16-22)26(24-13-9-6-10-14-24)29-20-19-28(4)27(2,3)21-23-11-7-5-8-12-23/h5-18,26H,19-21H2,1-4H3
InChIKeyRAJSKYJUZRGDBY-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.05
Rot. Bonds9

About N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine

N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine (PubChem CID 3046455) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine
PubChem CID3046455
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC NameN,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine
SMILESCc1ccc(C(OCCN(C)C(C)(C)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H33NO/c1-22-15-17-25(18-16-22)26(24-13-9-6-10-14-24)29-20-19-28(4)27(2,3)21-23-11-7-5-8-12-23/h5-18,26H,19-21H2,1-4H3
InChIKeyRAJSKYJUZRGDBY-UHFFFAOYSA-N
XLogP6.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3100
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CID 8980
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Vanoxerine
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Diphenylpyraline Hydrochloride
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1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
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Bontril
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1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
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Emetonium iodide
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Difeterol
CID 208836
2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
CID 10341570

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine (CID 3046455) is N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine is Cc1ccc(C(OCCN(C)C(C)(C)Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine?
The InChIKey is RAJSKYJUZRGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-22-15-17-25(18-16-22)26(24-13-9-6-10-14-24)29-20-19-28(4)27(2,3)21-23-11-7-5-8-12-23/h5-18,26H,19-21H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine?
N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine has a molecular weight of 387.57 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 3046455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).