N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline

C16H26N2O2 — CID 106872402

IUPACN-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)C2(CN)CCCC(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(13-6-8-14(19-2)9-7-13)16(12-17)10-4-5-15(11-16)20-3/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyHGDYHTFMZVJIPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline

N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline (PubChem CID 106872402) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
PubChem CID106872402
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)C2(CN)CCCC(OC)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(13-6-8-14(19-2)9-7-13)16(12-17)10-4-5-15(11-16)20-3/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyHGDYHTFMZVJIPN-UHFFFAOYSA-N
XLogP2.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
CID 65085251
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
CID 63464881
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
CID 106872410
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 106872798
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365117
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
CID 106821670

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline (CID 106872402) is N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)C2(CN)CCCC(OC)C2)cc1.
What is the InChIKey of N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline?
The InChIKey is HGDYHTFMZVJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(13-6-8-14(19-2)9-7-13)16(12-17)10-4-5-15(11-16)20-3/h6-9,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline?
N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline has a molecular weight of 278.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 106872402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).