1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine

C13H21ClN2O — CID 116904651

IUPAC1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(Cl)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(8-15)13(16(2)3)11-7-10(14)5-6-12(11)17-4/h5-7,9,13H,8,15H2,1-4H3
InChIKeyISPGBBXPQDHRMI-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine

1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine (PubChem CID 116904651) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
PubChem CID116904651
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(Cl)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(8-15)13(16(2)3)11-7-10(14)5-6-12(11)17-4/h5-7,9,13H,8,15H2,1-4H3
InChIKeyISPGBBXPQDHRMI-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
2-(4-bromo-3-methylbutan-2-yl)-4-chloro-1-methoxybenzene
CID 83933115
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
1-(5-bromo-2-methoxyphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913502
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
4-(5-chloro-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 116910496
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine (CID 116904651) is 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine is COc1ccc(Cl)cc1C(C(C)CN)N(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The InChIKey is ISPGBBXPQDHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(8-15)13(16(2)3)11-7-10(14)5-6-12(11)17-4/h5-7,9,13H,8,15H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116904651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).