2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine

C16H18FN — CID 83155281

IUPAC2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine
SMILESCC(C1CC1)C(N)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FN/c1-10(11-6-7-11)16(18)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-11,16H,6-7,18H2,1H3
InChIKeyDMQSNMFQRVHYAL-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.02
Rot. Bonds3

About 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine

2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine (PubChem CID 83155281) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine
PubChem CID83155281
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine
SMILESCC(C1CC1)C(N)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FN/c1-10(11-6-7-11)16(18)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-11,16H,6-7,18H2,1H3
InChIKeyDMQSNMFQRVHYAL-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
[2-cyclopropyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305668
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine (CID 83155281) is 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine is CC(C1CC1)C(N)c1ccc(F)c2ccccc12.
What is the InChIKey of 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine?
The InChIKey is DMQSNMFQRVHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-10(11-6-7-11)16(18)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-11,16H,6-7,18H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine?
2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 83155281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).