N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline

C19H32N2O — CID 84754296

IUPACN-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
SMILESCCCCN(CC)c1ccc(CNC2CCCC2)cc1OC
InChIInChI=1S/C19H32N2O/c1-4-6-13-21(5-2)18-12-11-16(14-19(18)22-3)15-20-17-9-7-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3
InChIKeyYGALRNIYTIVYOH-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.35
Rot. Bonds9

About N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline

N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline (PubChem CID 84754296) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline.

Molecular Properties

Compound NameN-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
PubChem CID84754296
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
SMILESCCCCN(CC)c1ccc(CNC2CCCC2)cc1OC
InChIInChI=1S/C19H32N2O/c1-4-6-13-21(5-2)18-12-11-16(14-19(18)22-3)15-20-17-9-7-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3
InChIKeyYGALRNIYTIVYOH-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.35
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

N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
3-[[4-[butyl(ethyl)amino]-3-methoxyphenyl]methylamino]propanoic acid
CID 84754298
N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline
CID 84748737
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
CID 45208012
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline?
The IUPAC name of N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline (CID 84754296) is N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline.
What is the SMILES notation for N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline?
The canonical SMILES for N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline is CCCCN(CC)c1ccc(CNC2CCCC2)cc1OC.
What is the InChIKey of N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline?
The InChIKey is YGALRNIYTIVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-6-13-21(5-2)18-12-11-16(14-19(18)22-3)15-20-17-9-7-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3.
What are the key properties of N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline?
N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline has a molecular weight of 304.48 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline is sourced from PubChem (CID 84754296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).