N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline

C18H24N2 — CID 63550597

IUPACN-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
SMILESCCNCc1ccc(N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-19-14-16-9-11-17(12-10-16)20(5-2)18-8-6-7-15(3)13-18/h6-13,19H,4-5,14H2,1-3H3
InChIKeyKKQUSWVQIOIMNZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.26
Rot. Bonds6

About N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline

N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline (PubChem CID 63550597) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
PubChem CID63550597
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
SMILESCCNCc1ccc(N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-19-14-16-9-11-17(12-10-16)20(5-2)18-8-6-7-15(3)13-18/h6-13,19H,4-5,14H2,1-3H3
InChIKeyKKQUSWVQIOIMNZ-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 146536835
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2-phenylacetamide
CID 113037370
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline?
The IUPAC name of N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline (CID 63550597) is N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline.
What is the SMILES notation for N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline?
The canonical SMILES for N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline is CCNCc1ccc(N(CC)c2cccc(C)c2)cc1.
What is the InChIKey of N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline?
The InChIKey is KKQUSWVQIOIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-19-14-16-9-11-17(12-10-16)20(5-2)18-8-6-7-15(3)13-18/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline?
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline is sourced from PubChem (CID 63550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).