N-methyl-N-(3-phenylbut-3-enyl)aniline

C17H19N — CID 138977624

IUPACN-methyl-N-(3-phenylbut-3-enyl)aniline
SMILESC=C(CCN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-15(16-9-5-3-6-10-16)13-14-18(2)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3
InChIKeyRNAQKGUDMZGVFK-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.23
Rot. Bonds5

About N-methyl-N-(3-phenylbut-3-enyl)aniline

N-methyl-N-(3-phenylbut-3-enyl)aniline (PubChem CID 138977624) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-(3-phenylbut-3-enyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-phenylbut-3-enyl)aniline
PubChem CID138977624
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-methyl-N-(3-phenylbut-3-enyl)aniline
SMILESC=C(CCN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-15(16-9-5-3-6-10-16)13-14-18(2)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3
InChIKeyRNAQKGUDMZGVFK-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
methane;N-methyl-N-(3-phenylbut-3-enyl)formamide
CID 143368877
pent-1-en-2-ylbenzene
CID 521761
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
CID 86738152
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
3-phenylbut-3-enoxysilane
CID 173347407
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 111037460
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N-methyl-N-[(E)-pent-3-enyl]aniline
CID 162403387

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylbut-3-enyl)aniline?
The IUPAC name of N-methyl-N-(3-phenylbut-3-enyl)aniline (CID 138977624) is N-methyl-N-(3-phenylbut-3-enyl)aniline.
What is the SMILES notation for N-methyl-N-(3-phenylbut-3-enyl)aniline?
The canonical SMILES for N-methyl-N-(3-phenylbut-3-enyl)aniline is C=C(CCN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-(3-phenylbut-3-enyl)aniline?
The InChIKey is RNAQKGUDMZGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-15(16-9-5-3-6-10-16)13-14-18(2)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3.
What are the key properties of N-methyl-N-(3-phenylbut-3-enyl)aniline?
N-methyl-N-(3-phenylbut-3-enyl)aniline has a molecular weight of 237.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylbut-3-enyl)aniline is sourced from PubChem (CID 138977624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).