1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine

C18H31NO — CID 115995505

IUPAC1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC(C)CC(C)C
InChIInChI=1S/C18H31NO/c1-6-12-19-17(7-2)16-10-8-9-11-18(16)20-15(5)13-14(3)4/h8-11,14-15,17,19H,6-7,12-13H2,1-5H3
InChIKeyJWYWCEJYJBHZMM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds9

About 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine

1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine (PubChem CID 115995505) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
PubChem CID115995505
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC(C)CC(C)C
InChIInChI=1S/C18H31NO/c1-6-12-19-17(7-2)16-10-8-9-11-18(16)20-15(5)13-14(3)4/h8-11,14-15,17,19H,6-7,12-13H2,1-5H3
InChIKeyJWYWCEJYJBHZMM-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
CID 64708098
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
4-(2-ethylphenoxy)-N-propylpentan-2-amine
CID 64720460
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine (CID 115995505) is 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OC(C)CC(C)C.
What is the InChIKey of 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is JWYWCEJYJBHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-12-19-17(7-2)16-10-8-9-11-18(16)20-15(5)13-14(3)4/h8-11,14-15,17,19H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine?
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).