N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline

C17H18FNO — CID 79978801

IUPACN-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H18FNO/c1-20-17-10-15(18)8-9-16(17)19-11-12-2-4-13(5-3-12)14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3
InChIKeyVAPKHZMLALMBGB-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.32
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline

N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline (PubChem CID 79978801) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
PubChem CID79978801
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H18FNO/c1-20-17-10-15(18)8-9-16(17)19-11-12-2-4-13(5-3-12)14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3
InChIKeyVAPKHZMLALMBGB-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 103411352
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
N-[(4-cyclopropylphenyl)methyl]-3,4-dimethoxyaniline
CID 79969085
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
CID 79978662
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]aniline
CID 60961293

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline (CID 79978801) is N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline is COc1cc(F)ccc1NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The InChIKey is VAPKHZMLALMBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-10-15(18)8-9-16(17)19-11-12-2-4-13(5-3-12)14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline?
N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline has a molecular weight of 271.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 79978801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).