2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C17H27FN2 — CID 114831415

IUPAC2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC1CCCC1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-17(13-19,11-15-8-5-9-16(18)10-15)20(2)12-14-6-3-4-7-14/h5,8-10,14H,3-4,6-7,11-13,19H2,1-2H3
InChIKeyBBFXBFILUBAXNT-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.21
Rot. Bonds6

About 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 114831415) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID114831415
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC1CCCC1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-17(13-19,11-15-8-5-9-16(18)10-15)20(2)12-14-6-3-4-7-14/h5,8-10,14H,3-4,6-7,11-13,19H2,1-2H3
InChIKeyBBFXBFILUBAXNT-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
2-N-(cyclopropylmethyl)-2-N,2-dimethyl-3-phenylpropane-1,2-diamine
CID 114993617
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 114831415) is 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(CC1CCCC1)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is BBFXBFILUBAXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(13-19,11-15-8-5-9-16(18)10-15)20(2)12-14-6-3-4-7-14/h5,8-10,14H,3-4,6-7,11-13,19H2,1-2H3.
What are the key properties of 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 278.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114831415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).