N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine

C14H21NO — CID 54850060

IUPACN-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)COc1ccccc1CNC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3
InChIKeyBSGXKJWXOOEAKW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine

N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 54850060) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
PubChem CID54850060
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(C)COc1ccccc1CNC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3
InChIKeyBSGXKJWXOOEAKW-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
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-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 117296323
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N',N'-diethyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethane-1,2-diamine
CID 54849249
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine (CID 54850060) is N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine is C=C(C)COc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is BSGXKJWXOOEAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-16-14-8-6-5-7-13(14)9-15-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3.
What are the key properties of N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54850060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).