1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine

C14H19NO — CID 62309396

IUPAC1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(Cc1cccc(OC)c1)NC
InChIInChI=1S/C14H19NO/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13,15H,8,10H2,1-3H3
InChIKeyFDSSVBWJFVFSNP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine

1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine (PubChem CID 62309396) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
PubChem CID62309396
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(Cc1cccc(OC)c1)NC
InChIInChI=1S/C14H19NO/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13,15H,8,10H2,1-3H3
InChIKeyFDSSVBWJFVFSNP-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-methyl-1-phenylhex-4-yn-2-amine
CID 62310382
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135010
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine (CID 62309396) is 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine is CC#CCC(Cc1cccc(OC)c1)NC.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine?
The InChIKey is FDSSVBWJFVFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13,15H,8,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine?
1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine is sourced from PubChem (CID 62309396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).