1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine

C14H21NO — CID 116772693

IUPAC1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
SMILESCNC(C=C(C)C)C(OC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(2)10-13(15-3)14(16-4)12-8-6-5-7-9-12/h5-10,13-15H,1-4H3
InChIKeyBWMYPXDNXDBUIU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds5

About 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine

1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine (PubChem CID 116772693) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine.

Molecular Properties

Compound Name1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
PubChem CID116772693
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
SMILESCNC(C=C(C)C)C(OC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(2)10-13(15-3)14(16-4)12-8-6-5-7-9-12/h5-10,13-15H,1-4H3
InChIKeyBWMYPXDNXDBUIU-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
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,3-dimethyl-1-phenylbut-2-en-1-amine
CID 79190066
(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
CID 910794
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
4-methyl-2-phenylpent-3-enal
CID 19361032
5-methoxy-N,2-dimethylhept-2-en-4-amine
CID 116715522
5-methyl-3-phenylhex-4-en-2-one
CID 10559533
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
methyl (E,4S,5R)-5-methoxy-4-methyl-5-phenylpent-2-enoate
CID 134943373
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
1-methoxy-1-phenylbutan-2-ol
CID 116756893

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine?
The IUPAC name of 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine (CID 116772693) is 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine.
What is the SMILES notation for 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine?
The canonical SMILES for 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine is CNC(C=C(C)C)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine?
The InChIKey is BWMYPXDNXDBUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-13(15-3)14(16-4)12-8-6-5-7-9-12/h5-10,13-15H,1-4H3.
What are the key properties of 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine?
1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine is sourced from PubChem (CID 116772693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).