N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine

C16H25NO3 — CID 63359784

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
SMILESCOc1ccc(CC(C)NC2CCCOC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-12(17-14-5-4-8-20-11-14)9-13-6-7-15(18-2)16(10-13)19-3/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZINVUYRJQWKQMS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine (PubChem CID 63359784) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
PubChem CID63359784
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
SMILESCOc1ccc(CC(C)NC2CCCOC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-12(17-14-5-4-8-20-11-14)9-13-6-7-15(18-2)16(10-13)19-3/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZINVUYRJQWKQMS-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
CID 103786094
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]oxolane
CID 63015882

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine (CID 63359784) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine is COc1ccc(CC(C)NC2CCCOC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine?
The InChIKey is ZINVUYRJQWKQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(17-14-5-4-8-20-11-14)9-13-6-7-15(18-2)16(10-13)19-3/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine has a molecular weight of 279.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine is sourced from PubChem (CID 63359784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).