N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine

C18H31N — CID 146018456

IUPACN-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine
SMILESCCN(Cc1ccc(C)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31N/c1-8-19(18(6,7)14-17(3,4)5)13-16-11-9-15(2)10-12-16/h9-12H,8,13-14H2,1-7H3
InChIKeyCWYIEMVRZWCIPX-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.03
Rot. Bonds5

About N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine

N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine (PubChem CID 146018456) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine
PubChem CID146018456
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine
SMILESCCN(Cc1ccc(C)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31N/c1-8-19(18(6,7)14-17(3,4)5)13-16-11-9-15(2)10-12-16/h9-12H,8,13-14H2,1-7H3
InChIKeyCWYIEMVRZWCIPX-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 146018467
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
3-(diethylamino)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 79052755
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
N-ethyl-N-[(4-methylphenyl)methyl]butan-2-amine iodide
CID 158876232
4-[[ethyl(trifluoromethyl)amino]methyl]phenol
CID 71635212
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine?
The IUPAC name of N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine (CID 146018456) is N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine?
The canonical SMILES for N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine is CCN(Cc1ccc(C)cc1)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine?
The InChIKey is CWYIEMVRZWCIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-8-19(18(6,7)14-17(3,4)5)13-16-11-9-15(2)10-12-16/h9-12H,8,13-14H2,1-7H3.
What are the key properties of N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine?
N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 146018456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).