2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline

C15H25ClN2O — CID 81149579

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCOCC(C)N(C)c1ccc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-11(2)17-9-13-6-7-15(14(16)8-13)18(4)12(3)10-19-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyJFLQPNFSIOEIRV-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.31
Rot. Bonds7

About 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline

2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 81149579) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID81149579
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCOCC(C)N(C)c1ccc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-11(2)17-9-13-6-7-15(14(16)8-13)18(4)12(3)10-19-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyJFLQPNFSIOEIRV-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
5-[2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]pentan-1-ol
CID 107201277
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949
1-[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 62124541
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81145002
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 81144066
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81148696
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline (CID 81149579) is 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline is COCC(C)N(C)c1ccc(CNC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is JFLQPNFSIOEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-11(2)17-9-13-6-7-15(14(16)8-13)18(4)12(3)10-19-5/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 284.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 81149579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).