1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine

C17H29NO — CID 55085543

IUPAC1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-12-18-16(11-13-19-5)14-7-9-15(10-8-14)17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyDWQJBXATMQHARX-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.06
Rot. Bonds7

About 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine

1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 55085543) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID55085543
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-12-18-16(11-13-19-5)14-7-9-15(10-8-14)17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyDWQJBXATMQHARX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine (CID 55085543) is 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is DWQJBXATMQHARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12-18-16(11-13-19-5)14-7-9-15(10-8-14)17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine?
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 55085543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).