ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine

C19H35NO — CID 156653185

IUPACethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
SMILESCC.CCCCCCCN(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO.C2H6/c1-4-6-7-8-9-14-18(3)15-16-10-12-17(13-11-16)19-5-2;1-2/h10-13H,4-9,14-15H2,1-3H3;1-2H3
InChIKeyXSDTYBVEKCGGHL-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.51
Rot. Bonds10

About ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine

ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine (PubChem CID 156653185) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine.

Molecular Properties

Compound Nameethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
PubChem CID156653185
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Nameethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
SMILESCC.CCCCCCCN(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO.C2H6/c1-4-6-7-8-9-14-18(3)15-16-10-12-17(13-11-16)19-5-2;1-2/h10-13H,4-9,14-15H2,1-3H3;1-2H3
InChIKeyXSDTYBVEKCGGHL-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
(2S)-1-[(4-hexoxyphenyl)methyl-methylamino]propan-2-ol
CID 99783620
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257940
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
N-[[4-(2,2-dimethylpropoxy)phenyl]methyl]-N,8,8-trimethyldecan-1-amine
CID 167290828
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine?
The IUPAC name of ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine (CID 156653185) is ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine.
What is the SMILES notation for ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine?
The canonical SMILES for ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine is CC.CCCCCCCN(C)Cc1ccc(OCC)cc1.
What is the InChIKey of ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine?
The InChIKey is XSDTYBVEKCGGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.C2H6/c1-4-6-7-8-9-14-18(3)15-16-10-12-17(13-11-16)19-5-2;1-2/h10-13H,4-9,14-15H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine?
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine is sourced from PubChem (CID 156653185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).