1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine

C14H24FN — CID 143556008

IUPAC1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC.Cc1ccc(F)cc1
InChIInChI=1S/C7H7F.C7H17N/c1-6-2-4-7(8)5-3-6;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3
InChIKeyWSOHFGMPNKQTMW-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.87
Rot. Bonds4

About 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine

1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine (PubChem CID 143556008) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
PubChem CID143556008
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC.Cc1ccc(F)cc1
InChIInChI=1S/C7H7F.C7H17N/c1-6-2-4-7(8)5-3-6;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3
InChIKeyWSOHFGMPNKQTMW-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
CID 142886824
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N,4-dimethyl-N-propylaniline
CID 14671247
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine (CID 143556008) is 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine is CCCN(C)CCC.Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine?
The InChIKey is WSOHFGMPNKQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C7H17N/c1-6-2-4-7(8)5-3-6;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3.
What are the key properties of 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine?
1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 143556008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).