3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine

C16H22ClN3 — CID 66412332

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
SMILESCCCn1cccc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C16H22ClN3/c1-4-10-20-11-6-7-13(20)12-18-15-9-5-8-14(17)16(15)19(2)3/h5-9,11,18H,4,10,12H2,1-3H3
InChIKeyPOOIONRPRQQGAX-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.23
Rot. Bonds6

About 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine

3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine (PubChem CID 66412332) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
PubChem CID66412332
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
SMILESCCCn1cccc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C16H22ClN3/c1-4-10-20-11-6-7-13(20)12-18-15-9-5-8-14(17)16(15)19(2)3/h5-9,11,18H,4,10,12H2,1-3H3
InChIKeyPOOIONRPRQQGAX-UHFFFAOYSA-N
XLogP4.23
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 62955967
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
2-bromo-5-chloro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81263969
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66411148
3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 62759450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine (CID 66412332) is 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine is CCCn1cccc1CNc1cccc(Cl)c1N(C)C.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is POOIONRPRQQGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-10-20-11-6-7-13(20)12-18-15-9-5-8-14(17)16(15)19(2)3/h5-9,11,18H,4,10,12H2,1-3H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 291.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).