2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine

C18H31FN2 — CID 114831034

IUPAC2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCCCCN(CCCC)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-4-6-11-21(12-7-5-2)18(3,15-20)14-16-9-8-10-17(19)13-16/h8-10,13H,4-7,11-12,14-15,20H2,1-3H3
InChIKeyQOYRBCGZLQGAEY-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.99
Rot. Bonds10

About 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine

2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 114831034) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID114831034
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCCCCN(CCCC)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-4-6-11-21(12-7-5-2)18(3,15-20)14-16-9-8-10-17(19)13-16/h8-10,13H,4-7,11-12,14-15,20H2,1-3H3
InChIKeyQOYRBCGZLQGAEY-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 114831173
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (CID 114831034) is 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is CCCCN(CCCC)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is QOYRBCGZLQGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-4-6-11-21(12-7-5-2)18(3,15-20)14-16-9-8-10-17(19)13-16/h8-10,13H,4-7,11-12,14-15,20H2,1-3H3.
What are the key properties of 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).