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

C14H23FN2 — CID 62418448

IUPACN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-12(2)10-16-7-8-17(3)11-13-5-4-6-14(15)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyLCSZJWZJKSYPOG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.50
Rot. Bonds7

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

N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62418448) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62418448
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-12(2)10-16-7-8-17(3)11-13-5-4-6-14(15)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyLCSZJWZJKSYPOG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 107951092

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62418448) is N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LCSZJWZJKSYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-12(2)10-16-7-8-17(3)11-13-5-4-6-14(15)9-13/h4-6,9,12,16H,7-8,10-11H2,1-3H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62418448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).