ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine

C20H27N — CID 143602189

IUPACethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(CCc2ccccc2)c1.CC
InChIInChI=1S/C18H21N.C2H6/c1-15(2)19-14-18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;1-2/h3-10,13,19H,1,11-12,14H2,2H3;1-2H3
InChIKeyALRBTQXHMKTYLH-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.12
Rot. Bonds6

About ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine

ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine (PubChem CID 143602189) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
PubChem CID143602189
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Nameethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(CCc2ccccc2)c1.CC
InChIInChI=1S/C18H21N.C2H6/c1-15(2)19-14-18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;1-2/h3-10,13,19H,1,11-12,14H2,2H3;1-2H3
InChIKeyALRBTQXHMKTYLH-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
CID 143932431
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
CID 118883103
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-benzylbut-1-en-2-amine
CID 12705420
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
benzene;2-phenylethylbenzene
CID 18982764
4-[[3-[(3-carboxybut-2-enoylamino)methyl]phenyl]methylamino]-2-methyl-4-oxobut-2-enoic acid
CID 54370185
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine?
The IUPAC name of ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine (CID 143602189) is ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine is C=C(C)NCc1cccc(CCc2ccccc2)c1.CC.
What is the InChIKey of ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine?
The InChIKey is ALRBTQXHMKTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C2H6/c1-15(2)19-14-18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16;1-2/h3-10,13,19H,1,11-12,14H2,2H3;1-2H3.
What are the key properties of ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine?
ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 143602189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).