N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine

C19H25NO — CID 65445010

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(CCNCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,17-7-5-4-6-8-17)15-20-14-13-16-9-11-18(21-3)12-10-16/h4-12,20H,13-15H2,1-3H3
InChIKeyCLMQSDXMADOZCX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 65445010) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID65445010
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(CCNCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,17-7-5-4-6-8-17)15-20-14-13-16-9-11-18(21-3)12-10-16/h4-12,20H,13-15H2,1-3H3
InChIKeyCLMQSDXMADOZCX-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 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 ≤ 53.81
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-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 106140377
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpentan-1-amine
CID 106141104
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-(chloromethyl)-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106252547
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
anisole;4-[2-(ethylamino)ethyl]benzoic acid
CID 174444655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine (CID 65445010) is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine is COc1ccc(CCNCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is CLMQSDXMADOZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,17-7-5-4-6-8-17)15-20-14-13-16-9-11-18(21-3)12-10-16/h4-12,20H,13-15H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65445010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).