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

C16H27FN2 — CID 83043127

IUPAC2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-4-7-16(12-18-10-5-2)19(3)13-14-8-6-9-15(17)11-14/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3
InChIKeyIJIPBAKQPWIQDP-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.43
Rot. Bonds9

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

2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine (PubChem CID 83043127) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
PubChem CID83043127
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-4-7-16(12-18-10-5-2)19(3)13-14-8-6-9-15(17)11-14/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3
InChIKeyIJIPBAKQPWIQDP-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-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

2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042926
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62461288
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 55089188
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225472

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine (CID 83043127) is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine is CCCNCC(CCC)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine?
The InChIKey is IJIPBAKQPWIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-7-16(12-18-10-5-2)19(3)13-14-8-6-9-15(17)11-14/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine is sourced from PubChem (CID 83043127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).