N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine

C18H31NO — CID 60661709

IUPACN-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-19-12-13-20-17-9-10-18(15(2)3)16(4)14-17/h9-10,14-15,19H,5-8,11-13H2,1-4H3
InChIKeyBIBHRGJWQFAPDN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.67
Rot. Bonds10

About N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine

N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine (PubChem CID 60661709) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
PubChem CID60661709
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-19-12-13-20-17-9-10-18(15(2)3)16(4)14-17/h9-10,14-15,19H,5-8,11-13H2,1-4H3
InChIKeyBIBHRGJWQFAPDN-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]butan-1-amine;oxalic acid
CID 2924198
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine (CID 60661709) is N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine is CCCCCCNCCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine?
The InChIKey is BIBHRGJWQFAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-8-11-19-12-13-20-17-9-10-18(15(2)3)16(4)14-17/h9-10,14-15,19H,5-8,11-13H2,1-4H3.
What are the key properties of N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine?
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 60661709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).