N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine

C16H24ClNO2 — CID 103897258

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
SMILESCOc1cccc(Cl)c1CNC1CCOC(C(C)C)C1
InChIInChI=1S/C16H24ClNO2/c1-11(2)16-9-12(7-8-20-16)18-10-13-14(17)5-4-6-15(13)19-3/h4-6,11-12,16,18H,7-10H2,1-3H3
InChIKeyZMNNJNSXAUPNLM-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine (PubChem CID 103897258) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
PubChem CID103897258
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
SMILESCOc1cccc(Cl)c1CNC1CCOC(C(C)C)C1
InChIInChI=1S/C16H24ClNO2/c1-11(2)16-9-12(7-8-20-16)18-10-13-14(17)5-4-6-15(13)19-3/h4-6,11-12,16,18H,7-10H2,1-3H3
InChIKeyZMNNJNSXAUPNLM-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
3-chloro-2-[[(2-methyloxan-4-yl)amino]methyl]phenol
CID 113346316
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
CID 51690741
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine (CID 103897258) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine is COc1cccc(Cl)c1CNC1CCOC(C(C)C)C1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine?
The InChIKey is ZMNNJNSXAUPNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)16-9-12(7-8-20-16)18-10-13-14(17)5-4-6-15(13)19-3/h4-6,11-12,16,18H,7-10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine has a molecular weight of 297.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 103897258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).