N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine

C13H21NO — CID 61003374

IUPACN-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1cccc(COC)c1
InChIInChI=1S/C13H21NO/c1-4-11(2)14-9-12-6-5-7-13(8-12)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyBEBOLJOFWQUJIB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds6

About N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine

N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine (PubChem CID 61003374) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
PubChem CID61003374
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1cccc(COC)c1
InChIInChI=1S/C13H21NO/c1-4-11(2)14-9-12-6-5-7-13(8-12)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyBEBOLJOFWQUJIB-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine (CID 61003374) is N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine is CCC(C)NCc1cccc(COC)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine?
The InChIKey is BEBOLJOFWQUJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)14-9-12-6-5-7-13(8-12)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine?
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 61003374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).