3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline

C16H25ClN2 — CID 54999469

IUPAC3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1c(Cl)cccc1N(CC1CC1)C(C)C
InChIInChI=1S/C16H25ClN2/c1-4-18-10-14-15(17)6-5-7-16(14)19(12(2)3)11-13-8-9-13/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeySBWOSTDXWDOSBD-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.07
Rot. Bonds7

About 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline

3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline (PubChem CID 54999469) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
PubChem CID54999469
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1c(Cl)cccc1N(CC1CC1)C(C)C
InChIInChI=1S/C16H25ClN2/c1-4-18-10-14-15(17)6-5-7-16(14)19(12(2)3)11-13-8-9-13/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeySBWOSTDXWDOSBD-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63551010
2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
CID 54989235
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63866426
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
3-chloro-2-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79310972
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79703789
2-chloro-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]-N-propan-2-ylaniline
CID 81144148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline (CID 54999469) is 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline is CCNCc1c(Cl)cccc1N(CC1CC1)C(C)C.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The InChIKey is SBWOSTDXWDOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-18-10-14-15(17)6-5-7-16(14)19(12(2)3)11-13-8-9-13/h5-7,12-13,18H,4,8-11H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline?
3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline has a molecular weight of 280.84 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 54999469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).