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

C18H31FN2 — CID 63470423

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C18H31FN2/c1-4-5-6-7-10-13-18(2,15-20)21(3)14-16-11-8-9-12-17(16)19/h8-9,11-12H,4-7,10,13-15,20H2,1-3H3
InChIKeyFCYOUDMPOGQDDY-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.34
Rot. Bonds10

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

2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine (PubChem CID 63470423) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
PubChem CID63470423
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C18H31FN2/c1-4-5-6-7-10-13-18(2,15-20)21(3)14-16-11-8-9-12-17(16)19/h8-9,11-12H,4-7,10,13-15,20H2,1-3H3
InChIKeyFCYOUDMPOGQDDY-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.34
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

2-N-[(2-bromophenyl)methyl]-2-N,2-dimethylheptane-1,2-diamine
CID 80558338
2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
CID 61412776
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61412930
2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 80558446
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CID 6425660
1-(2-fluorophenyl)-2-methyloctan-2-amine
CID 114833613
1-(2-fluorophenyl)-2-methyldecan-2-amine
CID 114833515
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine (CID 63470423) is 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine?
The InChIKey is FCYOUDMPOGQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-4-5-6-7-10-13-18(2,15-20)21(3)14-16-11-8-9-12-17(16)19/h8-9,11-12H,4-7,10,13-15,20H2,1-3H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.34, 10 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,2-dimethylnonane-1,2-diamine is sourced from PubChem (CID 63470423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).