(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine

C10H14FN — CID 130795022

IUPAC(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1c(F)cccc1C[C@@H](C)N
InChIInChI=1S/C10H14FN/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5,7H,6,12H2,1-2H3/t7-/m1/s1
InChIKeyVAIGTXVYCTVDNP-SSDOTTSWSA-N
MW167.23 g/mol
LogP2.02
Rot. Bonds2

About (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine

(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 130795022) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
PubChem CID130795022
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1c(F)cccc1C[C@@H](C)N
InChIInChI=1S/C10H14FN/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5,7H,6,12H2,1-2H3/t7-/m1/s1
InChIKeyVAIGTXVYCTVDNP-SSDOTTSWSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
3-(3-fluoro-2-methylphenyl)-2-methylpropanal
CID 91884061
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
CID 155731306
CID 155731306
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine (CID 130795022) is (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine is Cc1c(F)cccc1C[C@@H](C)N.
What is the InChIKey of (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is VAIGTXVYCTVDNP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5,7H,6,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine?
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 130795022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).