1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine

C11H17FN2 — CID 83955072

IUPAC1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyHIEZCOAEMRMZRI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.22
Rot. Bonds4

About 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine

1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine (PubChem CID 83955072) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
PubChem CID83955072
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyHIEZCOAEMRMZRI-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
3-methyl-1-N-(4-propan-2-yloxyphenyl)butane-1,2-diamine
CID 83945808
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
CID 83962526
1-N-[4-[2-(diethylamino)ethyl]phenyl]-3-methylbutane-1,2-diamine
CID 83963008
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
1-N-(4-hexoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961469
N-[2-[amino(propan-2-yl)amino]-2-(4-fluorophenyl)ethyl]-4-fluoroaniline
CID 118934109
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
1-N-(3-chloro-4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 83960372
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine (CID 83955072) is 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine is CC(C)C(N)CNc1ccc(F)cc1.
What is the InChIKey of 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine?
The InChIKey is HIEZCOAEMRMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine?
1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 83955072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).