2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

C14H17ClN2O — CID 114068254

IUPAC2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1c(Cl)cccc1CN
InChIInChI=1S/C14H17ClN2O/c1-10-12(6-7-18-10)9-17(2)14-11(8-16)4-3-5-13(14)15/h3-7H,8-9,16H2,1-2H3
InChIKeyMDLFAHZDJAZLSQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.34
Rot. Bonds4

About 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 114068254) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID114068254
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1c(Cl)cccc1CN
InChIInChI=1S/C14H17ClN2O/c1-10-12(6-7-18-10)9-17(2)14-11(8-16)4-3-5-13(14)15/h3-7H,8-9,16H2,1-2H3
InChIKeyMDLFAHZDJAZLSQ-UHFFFAOYSA-N
XLogP3.34
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426535
2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 62307943
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
5-amino-3-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 107194590
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 107106576
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
2-(bromomethyl)-6-chloro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114067697
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenecarbothioamide
CID 55154521

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 114068254) is 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is Cc1occc1CN(C)c1c(Cl)cccc1CN.
What is the InChIKey of 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is MDLFAHZDJAZLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-12(6-7-18-10)9-17(2)14-11(8-16)4-3-5-13(14)15/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 264.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 114068254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).