1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine

C14H21ClN2O — CID 170894962

IUPAC1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
SMILESCc1cc(OCC2CC2)c(C(N)CN)c(C)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-8-5-12(18-7-10-3-4-10)13(11(17)6-16)9(2)14(8)15/h5,10-11H,3-4,6-7,16-17H2,1-2H3
InChIKeyUWVKABDHYPFIFN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine

1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine (PubChem CID 170894962) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
PubChem CID170894962
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
SMILESCc1cc(OCC2CC2)c(C(N)CN)c(C)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-8-5-12(18-7-10-3-4-10)13(11(17)6-16)9(2)14(8)15/h5,10-11H,3-4,6-7,16-17H2,1-2H3
InChIKeyUWVKABDHYPFIFN-UHFFFAOYSA-N
XLogP2.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine
CID 66517845
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
CID 170870509
(3R)-3-[(2-bromo-4-chloro-3,5-dimethylphenoxy)methyl]pyrrolidine
CID 86320027
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
CID 170895047
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine?
The IUPAC name of 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine (CID 170894962) is 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine is Cc1cc(OCC2CC2)c(C(N)CN)c(C)c1Cl.
What is the InChIKey of 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine?
The InChIKey is UWVKABDHYPFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-8-5-12(18-7-10-3-4-10)13(11(17)6-16)9(2)14(8)15/h5,10-11H,3-4,6-7,16-17H2,1-2H3.
What are the key properties of 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine?
1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).