N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine

C14H22ClNO — CID 70849705

IUPACN-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCOc1cc(C(C)C)c(CNC(C)C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-9(2)12-7-14(17-5)13(15)6-11(12)8-16-10(3)4/h6-7,9-10,16H,8H2,1-5H3
InChIKeyCJOQFQSYJMYVHS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.97
Rot. Bonds5

About N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine

N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine (PubChem CID 70849705) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
PubChem CID70849705
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCOc1cc(C(C)C)c(CNC(C)C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-9(2)12-7-14(17-5)13(15)6-11(12)8-16-10(3)4/h6-7,9-10,16H,8H2,1-5H3
InChIKeyCJOQFQSYJMYVHS-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
1-chloro-5-(isocyanatomethyl)-2-methoxy-4-propan-2-ylbenzene
CID 117351955
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
CID 70851885
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
CID 84640295
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84640296
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine (CID 70849705) is N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine is COc1cc(C(C)C)c(CNC(C)C)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is CJOQFQSYJMYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-9(2)12-7-14(17-5)13(15)6-11(12)8-16-10(3)4/h6-7,9-10,16H,8H2,1-5H3.
What are the key properties of N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine?
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 70849705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).