(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine

C19H18FN — CID 141381257

IUPAC(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine
SMILESC[C@@H](NCc1ccccc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H18FN/c1-14(21-13-15-7-3-2-4-8-15)16-11-12-19(20)18-10-6-5-9-17(16)18/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyMEDCMZXVQJWWQI-CQSZACIVSA-N
MW279.36 g/mol
LogP4.83
Rot. Bonds4

About (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine

(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine (PubChem CID 141381257) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine
PubChem CID141381257
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine
SMILESC[C@@H](NCc1ccccc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H18FN/c1-14(21-13-15-7-3-2-4-8-15)16-11-12-19(20)18-10-6-5-9-17(16)18/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyMEDCMZXVQJWWQI-CQSZACIVSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
CID 143944028
CID 143944028
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine?
The IUPAC name of (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine (CID 141381257) is (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine?
The canonical SMILES for (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine is C[C@@H](NCc1ccccc1)c1ccc(F)c2ccccc12.
What is the InChIKey of (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine?
The InChIKey is MEDCMZXVQJWWQI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FN/c1-14(21-13-15-7-3-2-4-8-15)16-11-12-19(20)18-10-6-5-9-17(16)18/h2-12,14,21H,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine?
(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 141381257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).