2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine

C17H29FN2 — CID 107520436

IUPAC2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
SMILESCCCCN(C(C)CC)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-5-7-12-20(13(3)6-2)14(4)17(19)15-8-10-16(18)11-9-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3
InChIKeyCSPSIAORTWXWNP-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.11
Rot. Bonds8

About 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine

2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine (PubChem CID 107520436) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
PubChem CID107520436
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
SMILESCCCCN(C(C)CC)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-5-7-12-20(13(3)6-2)14(4)17(19)15-8-10-16(18)11-9-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3
InChIKeyCSPSIAORTWXWNP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 107520567
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 107520427
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
1-(3-bromo-4-fluorophenyl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 63465037
4-[1-[butan-2-yl(butyl)amino]propyl]phenol
CID 82986448
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine (CID 107520436) is 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine is CCCCN(C(C)CC)C(C)C(N)c1ccc(F)cc1.
What is the InChIKey of 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine?
The InChIKey is CSPSIAORTWXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-7-12-20(13(3)6-2)14(4)17(19)15-8-10-16(18)11-9-15/h8-11,13-14,17H,5-7,12,19H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine?
2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 107520436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).