N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine

C15H22ClNO — CID 63057553

IUPACN-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)COc1ccc(Cl)cc1CNCC(C)C
InChIInChI=1S/C15H22ClNO/c1-11(2)8-17-9-13-7-14(16)5-6-15(13)18-10-12(3)4/h5-7,11,17H,3,8-10H2,1-2,4H3
InChIKeyVOYGCJLREUQYNA-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.04
Rot. Bonds7

About N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63057553) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63057553
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)COc1ccc(Cl)cc1CNCC(C)C
InChIInChI=1S/C15H22ClNO/c1-11(2)8-17-9-13-7-14(16)5-6-15(13)18-10-12(3)4/h5-7,11,17H,3,8-10H2,1-2,4H3
InChIKeyVOYGCJLREUQYNA-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.04
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-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
methyl 4-[4-chloro-2-[(2-methylpropylamino)methyl]phenoxy]butanoate
CID 63056201
N-[[3-bromo-4-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63062009
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343
N-[[5-chloro-2-(4-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114855144
N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63056031
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
N-[[5-chloro-3-methoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 104665122
1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491618

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63057553) is N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine is C=C(C)COc1ccc(Cl)cc1CNCC(C)C.
What is the InChIKey of N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VOYGCJLREUQYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)8-17-9-13-7-14(16)5-6-15(13)18-10-12(3)4/h5-7,11,17H,3,8-10H2,1-2,4H3.
What are the key properties of N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63057553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).