1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine

C16H25F2N — CID 114875109

IUPAC1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(C)CC
InChIInChI=1S/C16H25F2N/c1-4-8-19-14(9-12(3)5-2)10-13-6-7-15(17)16(18)11-13/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3
InChIKeySPTRAZHVESZGRP-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.31
Rot. Bonds8

About 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine

1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine (PubChem CID 114875109) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
PubChem CID114875109
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(C)CC
InChIInChI=1S/C16H25F2N/c1-4-8-19-14(9-12(3)5-2)10-13-6-7-15(17)16(18)11-13/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3
InChIKeySPTRAZHVESZGRP-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3-bromo-2,6-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 106274055
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine (CID 114875109) is 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)CC(C)CC.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine?
The InChIKey is SPTRAZHVESZGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-8-19-14(9-12(3)5-2)10-13-6-7-15(17)16(18)11-13/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine?
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 114875109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).