1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine

C17H27NO — CID 66038028

IUPAC1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(OC)c1)NCCC
InChIInChI=1S/C17H27NO/c1-5-10-18-16(11-14(3)6-2)12-15-8-7-9-17(13-15)19-4/h7-9,13,16,18H,3,5-6,10-12H2,1-2,4H3
InChIKeyYZYLRLSLNQTAFR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.96
Rot. Bonds9

About 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine

1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine (PubChem CID 66038028) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
PubChem CID66038028
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(OC)c1)NCCC
InChIInChI=1S/C17H27NO/c1-5-10-18-16(11-14(3)6-2)12-15-8-7-9-17(13-15)19-4/h7-9,13,16,18H,3,5-6,10-12H2,1-2,4H3
InChIKeyYZYLRLSLNQTAFR-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine (CID 66038028) is 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine is C=C(CC)CC(Cc1cccc(OC)c1)NCCC.
What is the InChIKey of 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine?
The InChIKey is YZYLRLSLNQTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-10-18-16(11-14(3)6-2)12-15-8-7-9-17(13-15)19-4/h7-9,13,16,18H,3,5-6,10-12H2,1-2,4H3.
What are the key properties of 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine?
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine is sourced from PubChem (CID 66038028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).