3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

C17H27ClN2 — CID 63552343

IUPAC3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1c(Cl)cccc1N(C)CC1CCC1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-16(18)8-5-9-17(15)20(3)12-14-6-4-7-14/h5,8-9,13-14,19H,4,6-7,10-12H2,1-3H3
InChIKeyFFIQJNNBISDNNL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.32
Rot. Bonds7

About 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63552343) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63552343
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1c(Cl)cccc1N(C)CC1CCC1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-16(18)8-5-9-17(15)20(3)12-14-6-4-7-14/h5,8-9,13-14,19H,4,6-7,10-12H2,1-3H3
InChIKeyFFIQJNNBISDNNL-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551356
3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 54999469
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63866426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (CID 63552343) is 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1c(Cl)cccc1N(C)CC1CCC1.
What is the InChIKey of 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is FFIQJNNBISDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-16(18)8-5-9-17(15)20(3)12-14-6-4-7-14/h5,8-9,13-14,19H,4,6-7,10-12H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 294.87 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63552343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).