N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine

C18H21N — CID 116660811

IUPACN-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-8-18(19-4-2)17-13-11-16(12-14-17)15-9-6-5-7-10-15/h3,5-7,9-14,18-19H,1,4,8H2,2H3
InChIKeyVWNOUGNLVVFUMA-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.58
Rot. Bonds6

About N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine

N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine (PubChem CID 116660811) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
PubChem CID116660811
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-3-8-18(19-4-2)17-13-11-16(12-14-17)15-9-6-5-7-10-15/h3,5-7,9-14,18-19H,1,4,8H2,2H3
InChIKeyVWNOUGNLVVFUMA-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
N-ethyl-1,1-diphenylpent-4-en-2-amine
CID 61380727
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
1-(2,6-dichlorophenyl)-N-ethylbut-3-en-1-amine
CID 115814034
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
1-phenylbut-3-enylhydrazine
CID 105199312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine (CID 116660811) is N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine is C=CCC(NCC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine?
The InChIKey is VWNOUGNLVVFUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-8-18(19-4-2)17-13-11-16(12-14-17)15-9-6-5-7-10-15/h3,5-7,9-14,18-19H,1,4,8H2,2H3.
What are the key properties of N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine?
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine is sourced from PubChem (CID 116660811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).