ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine

C18H35N — CID 170568640

IUPACethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
SMILESCC.CC.CCCc1ccc(CCN(C)CC)cc1
InChIInChI=1S/C14H23N.2C2H6/c1-4-6-13-7-9-14(10-8-13)11-12-15(3)5-2;2*1-2/h7-10H,4-6,11-12H2,1-3H3;2*1-2H3
InChIKeyWIKBGRDIUDAWCX-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.19
Rot. Bonds6

About ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine

ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine (PubChem CID 170568640) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
PubChem CID170568640
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
SMILESCC.CC.CCCc1ccc(CCN(C)CC)cc1
InChIInChI=1S/C14H23N.2C2H6/c1-4-6-13-7-9-14(10-8-13)11-12-15(3)5-2;2*1-2/h7-10H,4-6,11-12H2,1-3H3;2*1-2H3
InChIKeyWIKBGRDIUDAWCX-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
CID 170050351
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
CID 155740431
ethane;1-ethyl-1-(4-propylphenyl)hydrazine
CID 176921539
4-[methyl-[2-(4-propylphenyl)ethyl]amino]-3-oxobutanenitrile
CID 117038559
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
N-methyl-N-[2-(4-propylphenyl)ethyl]azetidin-3-amine
CID 117040771
1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
CID 115169449

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine?
The IUPAC name of ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine (CID 170568640) is ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine?
The canonical SMILES for ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine is CC.CC.CCCc1ccc(CCN(C)CC)cc1.
What is the InChIKey of ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine?
The InChIKey is WIKBGRDIUDAWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.2C2H6/c1-4-6-13-7-9-14(10-8-13)11-12-15(3)5-2;2*1-2/h7-10H,4-6,11-12H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine?
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine is sourced from PubChem (CID 170568640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).