N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C12H19ClN2 — CID 115206325

IUPACN'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2/c1-10(2)14-8-9-15(3)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyUMAJRQGJHKMZSY-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.77
Rot. Bonds5

About N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 115206325) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID115206325
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2/c1-10(2)14-8-9-15(3)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyUMAJRQGJHKMZSY-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62585670
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418
N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206397
4-chloro-N-(2,2-dimethoxyethyl)-N-methylaniline
CID 139970905
2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid
CID 69275253
N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
CID 110664517
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
1-(4-chloro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514513
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 115206325) is N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is UMAJRQGJHKMZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-10(2)14-8-9-15(3)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).