1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

C17H18FN — CID 60797953

IUPAC1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(Cc2ccc(F)cc2)CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-15-9-7-13(8-10-15)12-17(19)11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10H,3,5,11-12,19H2
InChIKeyGNXNQVJUCWBRRK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.56
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 60797953) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID60797953
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(Cc2ccc(F)cc2)CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-15-9-7-13(8-10-15)12-17(19)11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10H,3,5,11-12,19H2
InChIKeyGNXNQVJUCWBRRK-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
4-[(4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419629
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407465
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 107046583
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 60797953) is 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is NC1(Cc2ccc(F)cc2)CCCc2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is GNXNQVJUCWBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-15-9-7-13(8-10-15)12-17(19)11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10H,3,5,11-12,19H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 255.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 60797953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).