N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

C15H25ClN2O — CID 120843624

IUPACN'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-16-9-10-17(2)11-13-5-7-15(8-6-13)18-12-14-3-4-14;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H
InChIKeyNCGCXIDVPIFISC-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.55
Rot. Bonds8

About N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 120843624) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID120843624
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-16-9-10-17(2)11-13-5-7-15(8-6-13)18-12-14-3-4-14;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H
InChIKeyNCGCXIDVPIFISC-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 120843624) is N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1ccc(OCC2CC2)cc1.Cl.
What is the InChIKey of N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is NCGCXIDVPIFISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-16-9-10-17(2)11-13-5-7-15(8-6-13)18-12-14-3-4-14;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H.
What are the key properties of N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120843624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).