N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine

C16H22FNO — CID 103904137

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCC2(C3CC3)CC2)ccc1F
InChIInChI=1S/C16H22FNO/c1-11(12-3-6-14(17)15(9-12)19-2)18-10-16(7-8-16)13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3
InChIKeyBYYVPXOZKVTHSY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.68
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 103904137) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
PubChem CID103904137
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCC2(C3CC3)CC2)ccc1F
InChIInChI=1S/C16H22FNO/c1-11(12-3-6-14(17)15(9-12)19-2)18-10-16(7-8-16)13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3
InChIKeyBYYVPXOZKVTHSY-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
N-[(3-methoxyphenyl)methyl]cyclopentanamine
CID 775303
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine
CID 3915903
N-((4''-fluoro-2''-methoxybiphenyl-3-yl)methyl)cyclopentanamine
CID 54586719
Nps R-467
CID 10199287
1-(3-Methoxyphenyl)-N-methylethanamine
CID 14871688
3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine
CID 4313716
(R)-N-(4-methoxybenzyl)-1-(3-methoxyphenyl)ethanamine
CID 28447518
trans-(1S,2R)-N-[(2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 93990915
1-[(1S,2S)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]-N-[(3-methoxyphenyl)methyl]methanamine;hydrochloride
CID 137632108
N-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]-1-(2-methoxyphenyl)ethanamine;hydrochloride
CID 137632449
N-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]-1-(2-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 137643424

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine (CID 103904137) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine is COc1cc(C(C)NCC2(C3CC3)CC2)ccc1F.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is BYYVPXOZKVTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11(12-3-6-14(17)15(9-12)19-2)18-10-16(7-8-16)13-4-5-13/h3,6,9,11,13,18H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 103904137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).