1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C17H29FN2 — CID 79483927

IUPAC1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17(11-19)14-8-7-9-15(18)10-14/h7-10,13,16-17H,5-6,11-12,19H2,1-4H3
InChIKeyWGBAJRHCKLAXHW-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.97
Rot. Bonds8

About 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79483927) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79483927
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17(11-19)14-8-7-9-15(18)10-14/h7-10,13,16-17H,5-6,11-12,19H2,1-4H3
InChIKeyWGBAJRHCKLAXHW-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79490465
1-(3-chloro-4-methylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 106817491
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 114843325
3-[[2-amino-1-(3-fluorophenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 55020201
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
1-(5-methylfuran-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483187
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483443
1-(3,5-difluorophenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106528598
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 79483927) is 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is WGBAJRHCKLAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17(11-19)14-8-7-9-15(18)10-14/h7-10,13,16-17H,5-6,11-12,19H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79483927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).