1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

C14H20FNO — CID 80684144

IUPAC1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1(C)CCCCO1
InChIInChI=1S/C14H20FNO/c1-14(9-3-4-10-17-14)13(16-2)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyGGRCAZBBXMQRMQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (PubChem CID 80684144) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
PubChem CID80684144
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1(C)CCCCO1
InChIInChI=1S/C14H20FNO/c1-14(9-3-4-10-17-14)13(16-2)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyGGRCAZBBXMQRMQ-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-Fluorophenyl)morpholine
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3-Phenylmorpholine
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3-Phenylmorpholine--hydrogen chloride (1/1)
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N-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-amine
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CID 46885514
2-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-3-phenylmorpholine
CID 9930999
Benzo(3,4)cyclohept(1,2-b)(1,4)oxazine, 1,2,3,4a,5,6,7,11b-octahydro-, (E)-
CID 3064624
1-(4-Fluorophenyl)-2-methoxyethan-1-amine
CID 16794201
3-(3,4-Difluorophenyl)morpholine
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(2-Methoxy-1-(3-(trifluoromethyl)phenyl)ethyl)(methyl)amine
CID 54594213

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (CID 80684144) is 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is CNC(c1ccc(F)cc1)C1(C)CCCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The InChIKey is GGRCAZBBXMQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(9-3-4-10-17-14)13(16-2)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 80684144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).