N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline

C16H18FNO — CID 135056223

IUPACN-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline
SMILESCOc1ccc(NC[C@@H](C)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(15-5-3-4-6-16(15)17)11-18-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyHQAPTTGQDQVZLB-GFCCVEGCSA-N
MW259.32 g/mol
LogP4.05
Rot. Bonds5

About N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline

N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline (PubChem CID 135056223) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline
PubChem CID135056223
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline
SMILESCOc1ccc(NC[C@@H](C)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(15-5-3-4-6-16(15)17)11-18-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyHQAPTTGQDQVZLB-GFCCVEGCSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
[(2S)-1-(4-methoxyanilino)propan-2-yl]carbamic acid
CID 141107988
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
(1R)-1-(2-fluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893767
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline (CID 135056223) is N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline is COc1ccc(NC[C@@H](C)c2ccccc2F)cc1.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline?
The InChIKey is HQAPTTGQDQVZLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(15-5-3-4-6-16(15)17)11-18-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline?
N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline has a molecular weight of 259.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline is sourced from PubChem (CID 135056223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).