3-chloro-N-(2-methylidenebutyl)aniline

C11H14ClN — CID 66044968

IUPAC3-chloro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyFXGIWUJHFMGOPI-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-N-(2-methylidenebutyl)aniline

3-chloro-N-(2-methylidenebutyl)aniline (PubChem CID 66044968) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-chloro-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2-methylidenebutyl)aniline
PubChem CID66044968
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-chloro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyFXGIWUJHFMGOPI-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338
1-(3-chloroanilino)propan-2-one
CID 21364413
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-(3-chloroanilino)ethanethioamide
CID 82076448
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
CID 81271581
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
propyl 2-(3-chloroanilino)acetate
CID 60835010
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
CID 159447915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylidenebutyl)aniline?
The IUPAC name of 3-chloro-N-(2-methylidenebutyl)aniline (CID 66044968) is 3-chloro-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 3-chloro-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 3-chloro-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylidenebutyl)aniline?
The InChIKey is FXGIWUJHFMGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,13H,2-3,8H2,1H3.
What are the key properties of 3-chloro-N-(2-methylidenebutyl)aniline?
3-chloro-N-(2-methylidenebutyl)aniline has a molecular weight of 195.69 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66044968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).