N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine

C17H23N3 — CID 169384689

IUPACN,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine
SMILESCC(c1cccc(CNNc2ccccc2)c1)N(C)C
InChIInChI=1S/C17H23N3/c1-14(20(2)3)16-9-7-8-15(12-16)13-18-19-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyGSLACMVJLQAMFW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.43
Rot. Bonds6

About N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine

N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine (PubChem CID 169384689) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine
PubChem CID169384689
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine
SMILESCC(c1cccc(CNNc2ccccc2)c1)N(C)C
InChIInChI=1S/C17H23N3/c1-14(20(2)3)16-9-7-8-15(12-16)13-18-19-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3
InChIKeyGSLACMVJLQAMFW-UHFFFAOYSA-N
XLogP3.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
CID 169384956
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
CID 169385182
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
[4-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]boronic acid
CID 169387220
1-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386901
3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
CID 91318489
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine (CID 169384689) is N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine is CC(c1cccc(CNNc2ccccc2)c1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine?
The InChIKey is GSLACMVJLQAMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(20(2)3)16-9-7-8-15(12-16)13-18-19-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine?
N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine is sourced from PubChem (CID 169384689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).