1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine

C17H27NO — CID 116773267

IUPAC1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
SMILESC=C(CC)CC(NCCC)C(OC)c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-12-18-16(13-14(3)6-2)17(19-4)15-10-8-7-9-11-15/h7-11,16-18H,3,5-6,12-13H2,1-2,4H3
InChIKeyBAABLDWLXKRMCF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds9

About 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine

1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine (PubChem CID 116773267) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
PubChem CID116773267
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
SMILESC=C(CC)CC(NCCC)C(OC)c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-12-18-16(13-14(3)6-2)17(19-4)15-10-8-7-9-11-15/h7-11,16-18H,3,5-6,12-13H2,1-2,4H3
InChIKeyBAABLDWLXKRMCF-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
3-methylidene-N,6-dipropylnonan-5-amine
CID 105005823
N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine?
The IUPAC name of 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine (CID 116773267) is 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine?
The canonical SMILES for 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine is C=C(CC)CC(NCCC)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine?
The InChIKey is BAABLDWLXKRMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-12-18-16(13-14(3)6-2)17(19-4)15-10-8-7-9-11-15/h7-11,16-18H,3,5-6,12-13H2,1-2,4H3.
What are the key properties of 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine?
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine is sourced from PubChem (CID 116773267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).