(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine

C16H23NO — CID 177359502

IUPAC(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine
SMILESC=C(C)/C(CCCOc1ccccc1C)=C(/C)N
InChIInChI=1S/C16H23NO/c1-12(2)15(14(4)17)9-7-11-18-16-10-6-5-8-13(16)3/h5-6,8,10H,1,7,9,11,17H2,2-4H3/b15-14-
InChIKeyCJFWIMJJTHSGQQ-PFONDFGASA-N
MW245.37 g/mol
LogP3.96
Rot. Bonds6

About (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine

(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine (PubChem CID 177359502) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine
PubChem CID177359502
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine
SMILESC=C(C)/C(CCCOc1ccccc1C)=C(/C)N
InChIInChI=1S/C16H23NO/c1-12(2)15(14(4)17)9-7-11-18-16-10-6-5-8-13(16)3/h5-6,8,10H,1,7,9,11,17H2,2-4H3/b15-14-
InChIKeyCJFWIMJJTHSGQQ-PFONDFGASA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
7-(2-methylphenoxy)heptanoic acid
CID 92930643
2,2-dimethyl-5-(2-methylphenoxy)pentanethioamide
CID 65259553
3-[4-(2-methylphenoxy)butylsulfonyl]propan-1-amine
CID 82180142
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine?
The IUPAC name of (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine (CID 177359502) is (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine.
What is the SMILES notation for (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine?
The canonical SMILES for (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine is C=C(C)/C(CCCOc1ccccc1C)=C(/C)N.
What is the InChIKey of (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine?
The InChIKey is CJFWIMJJTHSGQQ-PFONDFGASA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)15(14(4)17)9-7-11-18-16-10-6-5-8-13(16)3/h5-6,8,10H,1,7,9,11,17H2,2-4H3/b15-14-.
What are the key properties of (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine?
(Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2-methylphenoxy)-3-prop-1-en-2-ylhex-2-en-2-amine is sourced from PubChem (CID 177359502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).