4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline

C16H25ClN2 — CID 114851500

IUPAC4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(Cl)ccc1N(C)CC1CC1C
InChIInChI=1S/C16H25ClN2/c1-11(2)18-9-13-8-15(17)5-6-16(13)19(4)10-14-7-12(14)3/h5-6,8,11-12,14,18H,7,9-10H2,1-4H3
InChIKeyOONFGLKLOMCGBX-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.93
Rot. Bonds6

About 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 114851500) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
PubChem CID114851500
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(Cl)ccc1N(C)CC1CC1C
InChIInChI=1S/C16H25ClN2/c1-11(2)18-9-13-8-15(17)5-6-16(13)19(4)10-14-7-12(14)3/h5-6,8,11-12,14,18H,7,9-10H2,1-4H3
InChIKeyOONFGLKLOMCGBX-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
CID 114851509
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
N'-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 114851411
2-[4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]-N-cyclopropylacetamide
CID 114850143
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)aniline
CID 114849487
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
4-(bromomethyl)-2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 107083773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline (CID 114851500) is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1cc(Cl)ccc1N(C)CC1CC1C.
What is the InChIKey of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is OONFGLKLOMCGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11(2)18-9-13-8-15(17)5-6-16(13)19(4)10-14-7-12(14)3/h5-6,8,11-12,14,18H,7,9-10H2,1-4H3.
What are the key properties of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 280.84 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 114851500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).