2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine

C16H27FN2 — CID 61412930

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-10-16(13-18,11-5-2)19(3)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyOJTBUNSFQWOPHK-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.56
Rot. Bonds8

About 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine (PubChem CID 61412930) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
PubChem CID61412930
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-10-16(13-18,11-5-2)19(3)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyOJTBUNSFQWOPHK-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
CID 61412776
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61420226
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
CID 6425660
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine (CID 61412930) is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The InChIKey is OJTBUNSFQWOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-10-16(13-18,11-5-2)19(3)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine is sourced from PubChem (CID 61412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).