1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C18H26N2S — CID 62623242

IUPAC1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(Cc1cccs1)C(C)C
InChIInChI=1S/C18H26N2S/c1-14(2)20(13-16-8-6-12-21-16)11-10-18(19)17-9-5-4-7-15(17)3/h4-9,12,14,18H,10-11,13,19H2,1-3H3
InChIKeyBIGAANXRPWTDAA-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.36
Rot. Bonds7

About 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62623242) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62623242
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(Cc1cccs1)C(C)C
InChIInChI=1S/C18H26N2S/c1-14(2)20(13-16-8-6-12-21-16)11-10-18(19)17-9-5-4-7-15(17)3/h4-9,12,14,18H,10-11,13,19H2,1-3H3
InChIKeyBIGAANXRPWTDAA-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453349
1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62644997
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62265973
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973
1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55018719
1-N-methyl-1-(2-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472040
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62623242) is 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is Cc1ccccc1C(N)CCN(Cc1cccs1)C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is BIGAANXRPWTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-14(2)20(13-16-8-6-12-21-16)11-10-18(19)17-9-5-4-7-15(17)3/h4-9,12,14,18H,10-11,13,19H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62623242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).