N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H24N2OS — CID 60917484

IUPACN-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-13(2)20-15-8-6-14(7-9-15)17(11-18)19(3)12-16-5-4-10-21-16/h4-10,13,17H,11-12,18H2,1-3H3
InChIKeyNXGFXDDHXINFEQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.67
Rot. Bonds7

About N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 60917484) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID60917484
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-13(2)20-15-8-6-14(7-9-15)17(11-18)19(3)12-16-5-4-10-21-16/h4-10,13,17H,11-12,18H2,1-3H3
InChIKeyNXGFXDDHXINFEQ-UHFFFAOYSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527433
1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453425
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 60917484) is N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(CN)N(C)Cc2cccs2)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is NXGFXDDHXINFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(2)20-15-8-6-14(7-9-15)17(11-18)19(3)12-16-5-4-10-21-16/h4-10,13,17H,11-12,18H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 60917484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).