N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine

C18H30N2O2 — CID 84746179

IUPACN-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine
SMILESCOc1cc(CN2CCOCC2)ccc1CNCCC(C)C
InChIInChI=1S/C18H30N2O2/c1-15(2)6-7-19-13-17-5-4-16(12-18(17)21-3)14-20-8-10-22-11-9-20/h4-5,12,15,19H,6-11,13-14H2,1-3H3
InChIKeyNKTZFLHLDJVKOV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.66
Rot. Bonds8

About N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine

N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine (PubChem CID 84746179) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine
PubChem CID84746179
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine
SMILESCOc1cc(CN2CCOCC2)ccc1CNCCC(C)C
InChIInChI=1S/C18H30N2O2/c1-15(2)6-7-19-13-17-5-4-16(12-18(17)21-3)14-20-8-10-22-11-9-20/h4-5,12,15,19H,6-11,13-14H2,1-3H3
InChIKeyNKTZFLHLDJVKOV-UHFFFAOYSA-N
XLogP2.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 84745947
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 84745951
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 84745879
N-[[4-(azepan-1-ylmethyl)-2-methoxyphenyl]methyl]prop-2-en-1-amine
CID 84750707
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
2-[[3-methoxy-4-[(3-methylbutylamino)methyl]phenyl]methyl-methylamino]acetic acid
CID 84746152
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine (CID 84746179) is N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine is COc1cc(CN2CCOCC2)ccc1CNCCC(C)C.
What is the InChIKey of N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine?
The InChIKey is NKTZFLHLDJVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)6-7-19-13-17-5-4-16(12-18(17)21-3)14-20-8-10-22-11-9-20/h4-5,12,15,19H,6-11,13-14H2,1-3H3.
What are the key properties of N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine?
N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 84746179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).