N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine

C16H25NO — CID 138519029

IUPACN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
SMILESC=CCN(Cc1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C16H25NO/c1-5-7-14(3)17(12-6-2)13-15-8-10-16(18-4)11-9-15/h6,8-11,14H,2,5,7,12-13H2,1,3-4H3
InChIKeyNWZJVCHDYWGMHE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.87
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine

N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine (PubChem CID 138519029) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
PubChem CID138519029
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
SMILESC=CCN(Cc1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C16H25NO/c1-5-7-14(3)17(12-6-2)13-15-8-10-16(18-4)11-9-15/h6,8-11,14H,2,5,7,12-13H2,1,3-4H3
InChIKeyNWZJVCHDYWGMHE-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
(2R)-N-[(4-methoxyphenyl)methyl]-N-propyloctan-2-amine
CID 142550099
(2R,3R)-3-[(4-methoxyphenyl)methyl-prop-2-enylamino]-3-phenylpropane-1,2-diol
CID 11823617
ethyl 3-cyclohexyl-3-[(4-methoxyphenyl)methyl-prop-2-enylamino]propanoate
CID 11739876
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
CID 87033932
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
CID 154621282
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine (CID 138519029) is N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine is C=CCN(Cc1ccc(OC)cc1)C(C)CCC.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine?
The InChIKey is NWZJVCHDYWGMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-14(3)17(12-6-2)13-15-8-10-16(18-4)11-9-15/h6,8-11,14H,2,5,7,12-13H2,1,3-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine?
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine is sourced from PubChem (CID 138519029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).