4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline

C14H17ClN2O — CID 63087512

IUPAC4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3
InChIKeyBGNNTEIIRQHLRJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.42
Rot. Bonds5

About 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline

4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline (PubChem CID 63087512) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
PubChem CID63087512
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3
InChIKeyBGNNTEIIRQHLRJ-UHFFFAOYSA-N
XLogP3.42
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 102813620
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline (CID 63087512) is 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline is CCN(Cc1ccco1)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is BGNNTEIIRQHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline?
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline has a molecular weight of 264.76 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 63087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).