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

C15H25FN2 — CID 62260499

IUPACN'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-15(2,11-17)12-18(3)10-13-7-5-6-8-14(13)16/h5-8H,4,9-12,17H2,1-3H3
InChIKeyPNTMWFYVAWKYKS-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.02
Rot. Bonds7

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

N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine (PubChem CID 62260499) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
PubChem CID62260499
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-4-9-15(2,11-17)12-18(3)10-13-7-5-6-8-14(13)16/h5-8H,4,9-12,17H2,1-3H3
InChIKeyPNTMWFYVAWKYKS-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61412930
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
CID 55055281
1-N-[(2-fluorophenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452352
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N'-[(2-chloro-3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 112652851

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine (CID 62260499) is N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine is CCCC(C)(CN)CN(C)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The InChIKey is PNTMWFYVAWKYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-9-15(2,11-17)12-18(3)10-13-7-5-6-8-14(13)16/h5-8H,4,9-12,17H2,1-3H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.02, 7 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',2-dimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62260499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).