N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C16H21N3 — CID 62432915

IUPACN,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)Cc1ccncc1
InChIInChI=1S/C16H21N3/c1-17-12-16(15-6-4-3-5-7-15)19(2)13-14-8-10-18-11-9-14/h3-11,16-17H,12-13H2,1-2H3
InChIKeyHIFIDFAQMRRKTD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.47
Rot. Bonds6

About N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62432915) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62432915
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)Cc1ccncc1
InChIInChI=1S/C16H21N3/c1-17-12-16(15-6-4-3-5-7-15)19(2)13-14-8-10-18-11-9-14/h3-11,16-17H,12-13H2,1-2H3
InChIKeyHIFIDFAQMRRKTD-UHFFFAOYSA-N
XLogP2.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62433088
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915
3-[methyl(pyridin-4-ylmethyl)amino]-3-phenylpropanethioamide
CID 62779783
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N-methyl-1-phenyl-1-pyridin-2-yl-N-(pyridin-4-ylmethyl)methanamine
CID 84591336
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 62413056
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62432915) is N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CNCC(c1ccccc1)N(C)Cc1ccncc1.
What is the InChIKey of N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is HIFIDFAQMRRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-12-16(15-6-4-3-5-7-15)19(2)13-14-8-10-18-11-9-14/h3-11,16-17H,12-13H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62432915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).