N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine

C14H20ClNO — CID 76983308

IUPACN-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCC=CCl
InChIInChI=1S/C14H20ClNO/c1-14(2,3)16-11-12-7-4-5-8-13(12)17-10-6-9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyBDNMTFDBZWNMQZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.71
Rot. Bonds5

About N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 76983308) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID76983308
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1OCC=CCl
InChIInChI=1S/C14H20ClNO/c1-14(2,3)16-11-12-7-4-5-8-13(12)17-10-6-9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyBDNMTFDBZWNMQZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983244
N-[[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983199
N-[[3-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983268
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
CID 7935968
N-[[4-(3-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983242
2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 76983308) is N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1OCC=CCl.
What is the InChIKey of N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BDNMTFDBZWNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2,3)16-11-12-7-4-5-8-13(12)17-10-6-9-15/h4-9,16H,10-11H2,1-3H3.
What are the key properties of N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 76983308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).