3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine

C19H31NO2 — CID 170002396

IUPAC3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-21-19(12-13-20)17-10-7-11-18(14-17)22-15-16-8-5-3-2-4-6-9-16/h7,10-11,14,16,19H,2-6,8-9,12-13,15,20H2,1H3
InChIKeyALGKLKZGQSDSJC-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.46
Rot. Bonds7

About 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine

3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine (PubChem CID 170002396) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
PubChem CID170002396
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-21-19(12-13-20)17-10-7-11-18(14-17)22-15-16-8-5-3-2-4-6-9-16/h7,10-11,14,16,19H,2-6,8-9,12-13,15,20H2,1H3
InChIKeyALGKLKZGQSDSJC-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
CID 143785986
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile
CID 153142202
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
3-amino-1-[3-(oxan-3-ylmethoxy)phenyl]propan-1-ol
CID 123649469

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine?
The IUPAC name of 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine (CID 170002396) is 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine.
What is the SMILES notation for 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine?
The canonical SMILES for 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine is COC(CCN)c1cccc(OCC2CCCCCCC2)c1.
What is the InChIKey of 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine?
The InChIKey is ALGKLKZGQSDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-21-19(12-13-20)17-10-7-11-18(14-17)22-15-16-8-5-3-2-4-6-9-16/h7,10-11,14,16,19H,2-6,8-9,12-13,15,20H2,1H3.
What are the key properties of 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine?
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 170002396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).