N-methyl-5-methylidene-1-phenoxyheptan-3-amine

C15H23NO — CID 66046491

IUPACN-methyl-5-methylidene-1-phenoxyheptan-3-amine
SMILESC=C(CC)CC(CCOc1ccccc1)NC
InChIInChI=1S/C15H23NO/c1-4-13(2)12-14(16-3)10-11-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3
InChIKeyNCZNLDRFQQPSPK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.40
Rot. Bonds8

About N-methyl-5-methylidene-1-phenoxyheptan-3-amine

N-methyl-5-methylidene-1-phenoxyheptan-3-amine (PubChem CID 66046491) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-5-methylidene-1-phenoxyheptan-3-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-1-phenoxyheptan-3-amine
PubChem CID66046491
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-5-methylidene-1-phenoxyheptan-3-amine
SMILESC=C(CC)CC(CCOc1ccccc1)NC
InChIInChI=1S/C15H23NO/c1-4-13(2)12-14(16-3)10-11-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3
InChIKeyNCZNLDRFQQPSPK-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.40
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

N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-methyl-1-phenoxynonan-3-amine
CID 55094999
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
(3R)-1-phenoxyhexan-3-ol
CID 102063151
N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112642684
1,5-diphenoxypentan-3-ol
CID 5314309
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-1-phenoxyheptan-3-amine?
The IUPAC name of N-methyl-5-methylidene-1-phenoxyheptan-3-amine (CID 66046491) is N-methyl-5-methylidene-1-phenoxyheptan-3-amine.
What is the SMILES notation for N-methyl-5-methylidene-1-phenoxyheptan-3-amine?
The canonical SMILES for N-methyl-5-methylidene-1-phenoxyheptan-3-amine is C=C(CC)CC(CCOc1ccccc1)NC.
What is the InChIKey of N-methyl-5-methylidene-1-phenoxyheptan-3-amine?
The InChIKey is NCZNLDRFQQPSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13(2)12-14(16-3)10-11-17-15-8-6-5-7-9-15/h5-9,14,16H,2,4,10-12H2,1,3H3.
What are the key properties of N-methyl-5-methylidene-1-phenoxyheptan-3-amine?
N-methyl-5-methylidene-1-phenoxyheptan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-1-phenoxyheptan-3-amine is sourced from PubChem (CID 66046491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).