N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

C18H31NO — CID 146018467

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCN(Cc1ccc(OC)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-19(18(5,6)14-17(2,3)4)13-15-9-11-16(20-7)12-10-15/h9-12H,8,13-14H2,1-7H3
InChIKeyIGYJCYVIKVMGLB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.73
Rot. Bonds6

About N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 146018467) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID146018467
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCN(Cc1ccc(OC)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-19(18(5,6)14-17(2,3)4)13-15-9-11-16(20-7)12-10-15/h9-12H,8,13-14H2,1-7H3
InChIKeyIGYJCYVIKVMGLB-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43731289
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (CID 146018467) is N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is CCN(Cc1ccc(OC)cc1)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is IGYJCYVIKVMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-19(18(5,6)14-17(2,3)4)13-15-9-11-16(20-7)12-10-15/h9-12H,8,13-14H2,1-7H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 146018467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).