2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine

C18H31NO — CID 117445044

IUPAC2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1C(C)CN
InChIInChI=1S/C18H31NO/c1-13(11-19)15-10-14(8-9-16(15)20-7)18(5,6)12-17(2,3)4/h8-10,13H,11-12,19H2,1-7H3
InChIKeyIWKQMRQFLGQYIW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.47
Rot. Bonds5

About 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine

2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine (PubChem CID 117445044) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
PubChem CID117445044
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1C(C)CN
InChIInChI=1S/C18H31NO/c1-13(11-19)15-10-14(8-9-16(15)20-7)18(5,6)12-17(2,3)4/h8-10,13H,11-12,19H2,1-7H3
InChIKeyIWKQMRQFLGQYIW-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
CID 117391698
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
CID 117448513
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
CID 170890567
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine (CID 117445044) is 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine is COc1ccc(C(C)(C)CC(C)(C)C)cc1C(C)CN.
What is the InChIKey of 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine?
The InChIKey is IWKQMRQFLGQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(11-19)15-10-14(8-9-16(15)20-7)18(5,6)12-17(2,3)4/h8-10,13H,11-12,19H2,1-7H3.
What are the key properties of 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine?
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).