4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline

C17H22N2 — CID 43587265

IUPAC4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
SMILESCCc1ccc(CN(C)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-3-14-4-6-15(7-5-14)12-19(2)13-16-8-10-17(18)11-9-16/h4-11H,3,12-13,18H2,1-2H3
InChIKeyJIVLSMIPGZTLJD-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.46
Rot. Bonds5

About 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline

4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline (PubChem CID 43587265) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
PubChem CID43587265
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
SMILESCCc1ccc(CN(C)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-3-14-4-6-15(7-5-14)12-19(2)13-16-8-10-17(18)11-9-16/h4-11H,3,12-13,18H2,1-2H3
InChIKeyJIVLSMIPGZTLJD-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-ethylaniline;hydrobromide
CID 86059477
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline
CID 54073045

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline (CID 43587265) is 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline is CCc1ccc(CN(C)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline?
The InChIKey is JIVLSMIPGZTLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-14-4-6-15(7-5-14)12-19(2)13-16-8-10-17(18)11-9-16/h4-11H,3,12-13,18H2,1-2H3.
What are the key properties of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline?
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 43587265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).