N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline

C18H23ClN2 — CID 61415085

IUPACN-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2/c1-4-20-14(2)16-7-11-18(12-8-16)21(3)13-15-5-9-17(19)10-6-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyLHGVZAUYIFFQOH-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.65
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline

N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline (PubChem CID 61415085) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
PubChem CID61415085
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2/c1-4-20-14(2)16-7-11-18(12-8-16)21(3)13-15-5-9-17(19)10-6-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyLHGVZAUYIFFQOH-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
CID 62333161
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79850828
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
CID 63534015
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
N-[4-[1-(ethylamino)ethyl]phenyl]-N,3,5-trimethylaniline
CID 63533292

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline (CID 61415085) is N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline is CCNC(C)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline?
The InChIKey is LHGVZAUYIFFQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-20-14(2)16-7-11-18(12-8-16)21(3)13-15-5-9-17(19)10-6-15/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline?
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline has a molecular weight of 302.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline is sourced from PubChem (CID 61415085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).