N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine

C19H26N2 — CID 43768398

IUPACN',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
SMILESCc1cccc(C(C)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-9-8-12-18(13-15)16(2)20-19(14-21(3)4)17-10-6-5-7-11-17/h5-13,16,19-20H,14H2,1-4H3
InChIKeyMSXBRVAAGJJFNV-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.95
Rot. Bonds6

About N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine

N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine (PubChem CID 43768398) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
PubChem CID43768398
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
SMILESCc1cccc(C(C)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-9-8-12-18(13-15)16(2)20-19(14-21(3)4)17-10-6-5-7-11-17/h5-13,16,19-20H,14H2,1-4H3
InChIKeyMSXBRVAAGJJFNV-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43110308
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine (CID 43768398) is N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine is Cc1cccc(C(C)NC(CN(C)C)c2ccccc2)c1.
What is the InChIKey of N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine?
The InChIKey is MSXBRVAAGJJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-9-8-12-18(13-15)16(2)20-19(14-21(3)4)17-10-6-5-7-11-17/h5-13,16,19-20H,14H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine?
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).