N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine

C17H21FN2 — CID 43575716

IUPACN'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccccc1F)CC(CN)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-20(12-15-9-5-6-10-17(15)18)13-16(11-19)14-7-3-2-4-8-14/h2-10,16H,11-13,19H2,1H3
InChIKeyNVXMVAAHOLCTEZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.00
Rot. Bonds6

About N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine

N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine (PubChem CID 43575716) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
PubChem CID43575716
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccccc1F)CC(CN)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-20(12-15-9-5-6-10-17(15)18)13-16(11-19)14-7-3-2-4-8-14/h2-10,16H,11-13,19H2,1H3
InChIKeyNVXMVAAHOLCTEZ-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66224055
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 61438822
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine (CID 43575716) is N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine is CN(Cc1ccccc1F)CC(CN)c1ccccc1.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The InChIKey is NVXMVAAHOLCTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(12-15-9-5-6-10-17(15)18)13-16(11-19)14-7-3-2-4-8-14/h2-10,16H,11-13,19H2,1H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine?
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 43575716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).