5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine

C22H34N2O — CID 70392380

IUPAC5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
SMILESCCCCNC(C)C.CCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO.C7H17N/c1-2-12-8-9-15(14(16)10-12)17-11-13-6-4-3-5-7-13;1-4-5-6-8-7(2)3/h3-10H,2,11,16H2,1H3;7-8H,4-6H2,1-3H3
InChIKeyPCROVDXJQUMKAY-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.19
Rot. Bonds8

About 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine

5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine (PubChem CID 70392380) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
PubChem CID70392380
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
SMILESCCCCNC(C)C.CCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO.C7H17N/c1-2-12-8-9-15(14(16)10-12)17-11-13-6-4-3-5-7-13;1-4-5-6-8-7(2)3/h3-10H,2,11,16H2,1H3;7-8H,4-6H2,1-3H3
InChIKeyPCROVDXJQUMKAY-UHFFFAOYSA-N
XLogP5.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
CID 82257717
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
4-ethyl-2-nitro-1-phenylmethoxybenzene;N-propylbutan-1-amine
CID 70392196
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
5-ethyl-2-(3-methylbutoxy)aniline
CID 54853197
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine?
The IUPAC name of 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine (CID 70392380) is 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine?
The canonical SMILES for 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine is CCCCNC(C)C.CCc1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine?
The InChIKey is PCROVDXJQUMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C7H17N/c1-2-12-8-9-15(14(16)10-12)17-11-13-6-4-3-5-7-13;1-4-5-6-8-7(2)3/h3-10H,2,11,16H2,1H3;7-8H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine?
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine has a molecular weight of 342.53 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 70392380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).