N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine

C18H23ClN2 — CID 81313613

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCc1ccccc1CN
InChIInChI=1S/C18H23ClN2/c1-14(15-7-9-18(19)10-8-15)21(2)12-11-16-5-3-4-6-17(16)13-20/h3-10,14H,11-13,20H2,1-2H3
InChIKeyVWFLCSRRCUDGCB-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine

N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 81313613) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID81313613
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CCc1ccccc1CN
InChIInChI=1S/C18H23ClN2/c1-14(15-7-9-18(19)10-8-15)21(2)12-11-16-5-3-4-6-17(16)13-20/h3-10,14H,11-13,20H2,1-2H3
InChIKeyVWFLCSRRCUDGCB-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
CID 81321976
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine (CID 81313613) is N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine is CC(c1ccc(Cl)cc1)N(C)CCc1ccccc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is VWFLCSRRCUDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(15-7-9-18(19)10-8-15)21(2)12-11-16-5-3-4-6-17(16)13-20/h3-10,14H,11-13,20H2,1-2H3.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 302.85 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 81313613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).