N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine

C17H26FNO2 — CID 82771870

IUPACN-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C1(C)CCCCO1
InChIInChI=1S/C17H26FNO2/c1-4-10-19-16(17(2)9-5-6-11-21-17)14-12-13(18)7-8-15(14)20-3/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyBLCYFAHNMJWVQN-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 82771870) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID82771870
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C1(C)CCCCO1
InChIInChI=1S/C17H26FNO2/c1-4-10-19-16(17(2)9-5-6-11-21-17)14-12-13(18)7-8-15(14)20-3/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyBLCYFAHNMJWVQN-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105052066
[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276084
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105399198
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 82771870) is N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1OC)C1(C)CCCCO1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is BLCYFAHNMJWVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-10-19-16(17(2)9-5-6-11-21-17)14-12-13(18)7-8-15(14)20-3/h7-8,12,16,19H,4-6,9-11H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82771870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).